Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.79 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.48 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.48 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.48 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.48 |
| ▸ | CYP2F1 | P24903 | 2/20 | 0.48 |
| ▸ | CYP2C18 | P33260 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2J2 | P51589 | 2/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| 1,3,5-Trimethoxybenzene SCHEMBL28493 | 0.89 | ALDH1A1 (1.00) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28557531 | 0.85 | ALDH1A1 (0.92) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28416912 | 0.85 | ALDH1A1 (0.92) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28740008 | 0.85 | ALDH1A1 (0.92) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28834629 | 0.79 | ALDH1A1 (0.79) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL2954516 | 0.79 | ALDH1A1 (0.79) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL9488488 | 0.79 | ALDH1A1 (0.79) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL12501 | 0.76 | ALDH1A1 (0.73) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL9173991 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL1402593 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 |
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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2123695-B1 | METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN | MITSUI CHEMICALS INC (JP) | 2021-06-23 | — | — | EP | disclosed |
| EP-2314637-B1 | COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL COMPONENT, AND PRODUCTION METHOD OF COMPOSITION | MITSUI CHEMICALS INC (JP) | 2017-07-12 | — | — | EP | disclosed |
| EP-2230271-B1 | ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION | MITSUI CHEMICALS INC (JP) | 2016-09-07 | — | — | EP | disclosed |
| EP-2982706-A1 | ADDITIVE FOR POLYMERIZABLE COMPOSITION, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, AND USE OF THE POLYMERIZABLE COMPOSITION | Mitsui Chemicals, Inc. (JP) | 2016-02-10 | — | — | EP | disclosed |
| EP-2292597-B1 | METAL COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN AND USE OF THE RESIN | MITSUI CHEMICALS INC (JP) | 2015-03-04 | — | — | EP | disclosed |
| US-8697889-B2 | Metal compound, polymerizable composition containing the same, resin, method for producing the resin, and use of the resin | MITSUI CHEMICALS, INC. (JP) | 2014-04-15 | — | — | US | disclosed |
| EP-1813639-B1 | METAL-CONTAINING COMPOUND AND USE THEREOF | MITSUI CHEMICALS INC (JP) | 2014-03-12 | — | — | EP | disclosed |
| US-8637633-B2 | Polymerizable composition, and resin and optical part using the same | MITSUI CHEMICALS, INC. (JP) | 2014-01-28 | — | — | US | disclosed |
| EP-2311845-B1 | COMPOUND, POLYMERIZABLE COMPOSITION, RESIN, AND USE OF THE COMPOSITION AND THE RESIN | MITSUI CHEMICALS INC (JP) | 2013-09-25 | — | — | EP | disclosed |
| EP-2006319-B1 | POLYMERIZABLE COMPOSITION, RESIN USING SAME, OPTICAL COMPONENT AND LENS | MITSUI CHEMICALS INC (JP) | 2013-08-14 | — | — | EP | disclosed |
| EP-1862453-A1 | MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME | Tokyo Institute of Technology (JP) | 2007-12-05 | — | — | EP | disclosed |
| US-20070191615-A1 | Polymerizable compound and use thereof | MITSUI CHEMICALS, INC. (JP) | 2007-08-16 | — | — | US | disclosed |
| EP-1813639-A1 | METAL-CONTAINING COMPOUND AND USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2007-08-01 | — | — | EP | disclosed |
| EP-1731547-A1 | POLYMERIZABLE COMPOUNDS AND USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2006-12-13 | — | — | EP | disclosed |
| EP-1678185-A1 | 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-07-12 | — | — | EP | disclosed |
| US-6953798-B1 | β-alanine derivates | CELLTECH R&D LIMITED (GB) | 2005-10-11 | — | — | US | disclosed |
| US-20050171195-A1 | P2X7 antagonists for treating neuropathic pain | ABBOTT LABORATORIES | 2005-08-04 | — | — | US | disclosed |
| WO-2005042542-A1 | 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2005-05-12 | — | — | WO | disclosed |
| EP-1135371-A1 | BETA-ALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000032575-A1 | β-ALANINE DERIVATIVES AS α4 INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-06-08 | — | — | WO | 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 (2 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-20050171195-A1 | P2X7 antagonists for treating neuropathic pain | P2RX3, P2RX7, P2RX1 | ALDH1A1 1730/4885CYP1A1 2560/4885CYP1B1 1848/4885 |
| US-20070191615-A1 | Polymerizable compound and use thereof | RPS4X, MLX, RPS4Y1 | ALDH1A1 3156/4885CYP1A1 3383/4885CYP1B1 2341/4885 |
“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.