Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL172851 | 0.82 | TP53 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5718769 | 0.78 | ALDH1A1 (0.40) | TSHRACHEALDH1A1CYP2C9TDP1 | |
| SCHEMBL2338290 | 0.78 | APP (0.43) | TRPA1ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL68647 | 0.77 | TSHR (0.46) | TSHRCASP1ACHETRPA1PTGS1 | |
| SCHEMBL31294509 | 0.77 | TSHR (0.46) | TSHRCASP1ACHETRPA1PTGS1 | |
| SCHEMBL11663960 | 0.74 | HDAC8 (0.34) | TSHRCYP2C9CA12CA1CA2 | |
| SCHEMBL2806303 | 0.74 | CA12 (0.35) | CA12CA1CA2CA9CA14 | |
| Benzene SCHEMBL29063523 | 0.74 | ALOX5 (0.43) | TRPA1KDM4EMAPTALOX15CA12 | |
| SCHEMBL7857630 | 0.73 | HDAC8 (0.38) | ACHECA12CA1CA2CA9 | |
| SCHEMBL2797870 | 0.73 | CA9 (0.50) | CA12CA1CA2CA9CA14 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2038288-B1 | NOVEL 4-AMINO-3-(-AZOLYL-PHENOXYMETHYL)-THIENOÝ3,2¨PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2010-11-24 | — | — | EP | disclosed |
| US-20100286353-A1 | ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF | FUJIFILM CORPORATION (JP) | 2010-11-11 | — | — | US | disclosed |
| CN-101868444-A | Acetylenic compound, salt thereof, condensate thereof, and composition thereof | FUJIFILM CORP | 2010-10-20 | — | — | CN | disclosed |
| US-20100240908-A1 | ACETYLENE COMPOUND | FUJIFILM CORPORATION (JP) | 2010-09-23 | — | — | US | disclosed |
| CN-101808982-A | Acetylene compound | FUJIFILM CORP | 2010-08-18 | — | — | CN | disclosed |
| EP-2202220-A1 | ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF | Fujifilm Corporation (JP) | 2010-06-30 | — | — | EP | disclosed |
| EP-2202221-A1 | ACETYLENE COMPOUND | Fujifilm Corporation (JP) | 2010-06-30 | — | — | EP | disclosed |
| WO-2008000697-A1 | NOVEL 4-AMINO-3-(-AZOLYL-PHENOXYMETHYL)-THIENO[3,2]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-03 | — | — | WO | disclosed |
| US-7291692-B2 | Polyarylene oxide and method of producing the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-11-06 | — | — | US | 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-20100240908-A1 | ACETYLENE COMPOUND | NAT1, KATNA1, KAT2B | TSHR 3644/4885CASP1 1288/4885ACHE 3745/4885 |
| US-20100286353-A1 | ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF | KAT8, HDAC10, SSRP1 | TSHR 4692/4885CASP1 1789/4885ACHE 3820/4885 |
“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.