Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Toluene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Toluene SCHEMBL512992 | 1.00 | TSHR (0.48) | TSHRLMNAALOX12ACHENAPRT | |
| Toluene SCHEMBL27659900 | 0.94 | LMNA (0.46) | TSHRLMNAALOX12ACHENAPRT | |
| Toluene SCHEMBL27713635 | 0.92 | TSHR (0.44) | TSHRLMNAALOX12ACHENAPRT | |
| Toluene SCHEMBL2178387 | 0.89 | LMNA (0.61) | TSHRLMNAALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL29249545 | 0.88 | SMN1; SMN2 (0.59) | TSHRLMNAALOX12ACHENAPRT | |
| Toluene SCHEMBL27551962 | 0.87 | TSHR (0.48) | TSHRLMNAALOX12ACHENAPRT | |
| Toluene SCHEMBL22071089 | 0.87 | ALDH1A1 (0.55) | TSHRLMNANAPRTSMN1; SMN2TDP1 | |
| Toluene SCHEMBL16986055 | 0.86 | PTGS1 (0.37) | TSHRLMNAALOX12ACHETDP1 | |
| Toluene SCHEMBL248686 | 0.86 | LMNA (0.65) | TSHRLMNAALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL11123126 | 0.86 | LMNA (0.65) | TSHRLMNAALOX12ACHESMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8980526-B2 | Hydrophilic photoacid generator and resist composition comprising same | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2015-03-17 | — | — | US | disclosed |
| US-20130177852-A1 | HYDROPHILIC PHOTOACID GENERATOR AND RESIST COMPOSITION COMPRISING SAME | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2013-07-11 | — | — | US | disclosed |
| US-6972196-B1 | Making surfaces inert by modifying with alkanethiolates | ARCH DEVELOPMENT CORPORATION (US) | 2005-12-06 | — | — | US | disclosed |
| US-20050255582-A1 | Surface modifying composition | ARCH DEVELOPMENT CORPORATION: | 2005-11-17 | — | — | US | disclosed |
| US-20030023096-A1 | Naphthyloxy acetic acid derivatives and a pharmaceutical composition comprising them as an active ingredient | NAGAO YUUKI (JP) | 2003-01-30 | — | — | US | disclosed |
| US-6335366-B2 | A PROSTAGLANDIN E2 ANTAGONIST OR AGONIST WHICH COMPRISES A NAPHTHYLHYDROXY DERIVATIVES OR NAPHTHYLOXYALKYLENE DERIVATIVES OR NONTOXIC SALTS | ONO PHARMACEUTICAL CO., LTD. (JP) | 2002-01-01 | — | — | US | disclosed |
| US-20010005760-A1 | Naphthyloxy acetic acid derivatives and a pharmaceutical composition comprising them as an active ingredient | NAGAO YUUKI (JP) | 2001-06-28 | — | — | US | disclosed |
| US-6197993-B1 | PROSTAGLANDIN E2 ANTAGONISTS OR AGONISTS | ONO PHARMACEUTICAL CO., LTD. (JP) | 2001-03-06 | — | — | US | disclosed |
| US-6018068-A | 2-(5-(2-(2RS-HYDROXY-3-PHENOXYPROPYLTHIO)ETHYL)-1-NAPHTHYLOXY) -ACETIC ACID METHYL ESTER, AND OTHER COMPOUNDS OF GIVEN FORMULA; USE AS PROSTAGLANDIN E2 ANTAGONISTS OR AGONISTS | ONO PHARMACEUTICAL CO., LTD. (JP) | 2000-01-25 | — | — | US | disclosed |
| EP-0845451-A1 | NAPHTHYLOXYACETIC ACID DERIVATIVES AND DRUGS COMPRISING THE SAME AS ACTIVE INGREDIENTS | ONO PHARMACEUTICAL CO., LTD. (JP) | 1998-06-03 | — | — | EP | disclosed |
| WO-1993017034-A1 | AMPHOTERICIN B DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1993-09-02 | — | — | WO | disclosed |
| US-5059597-A | Animal growth regulators; enterobacter | BAYER AKTIENGESELLSCHAFT (DE) | 1991-10-22 | — | — | US | disclosed |
| US-5036157-A | Hydroxamic acid derivatives, lipoxygenase and cyclooxygenase inhibitors, anticoagulants, antiinflammatory agents | BURROUGHS WELLCOME CO. | 1991-07-30 | — | — | US | disclosed |
| US-4990517-A | 7-(1-pyrrolidinyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives as antibacterial agents and feed additives | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-05 | — | — | US | disclosed |
| US-4988733-A | Also used in treatment of cardiovascular disorders and inflammation | BURROUGHS WELLCOME CO. (US) | 1991-01-29 | — | — | US | disclosed |
| US-4977188-A | Hydroamic acid derivatives | BURROUGHS WELLCOME CO. (US) | 1990-12-11 | — | — | US | disclosed |
| WO-1990001929-A1 | NEW MEDICAL USE | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-03-08 | — | — | WO | disclosed |
| EP-0299761-A1 | Anti-inflammatory aryl derivatives | THE WELLCOME FOUNDATION LIMITED (GB) | 1989-01-18 | — | — | EP | disclosed |
| US-4738986-A | CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS | BURROUGHS WELLCOME CO. (US) | 1988-04-19 | — | — | US | disclosed |
| EP-0196184-A2 | Aryl derivatives | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-10-01 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050255582-A1 | Surface modifying composition | TMT1A, HBS1L, SAAL1 | TSHR 1379/4885LMNA 1148/4885ALOX12 1396/4885 |
| US-20010005760-A1 | Naphthyloxy acetic acid derivatives and a pharmaceutical composition comprising them as an active ingredient | CNR1, GIPR, HCAR1 | TSHR 117/4885LMNA 1976/4885ALOX12 53/4885 |
| US-20030023096-A1 | Naphthyloxy acetic acid derivatives and a pharmaceutical composition comprising them as an active ingredient | CNR1, HCAR1, GIPR | TSHR 208/4885LMNA 2285/4885ALOX12 65/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.