Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 2/20 | 0.36 |
| ▸ | DDO | Q99489 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7220879 | 0.82 | MEN1 (0.39) | GABRA1GABRB2KCNH2MEN1KMT2A | |
| SCHEMBL1655812 | 0.81 | KCNH2 (0.49) | KCNH2CYP2D6ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL7691626 | 0.81 | PARP1 (0.43) | KCNH2CYP2D6KDM4ECYP1A2TSHR | |
| SCHEMBL2709066 | 0.80 | ELANE (0.47) | KCNH2MEN1KMT2ACYP2D6ELANE | |
| SCHEMBL2709776 | 0.78 | PRKD3 (0.40) | KCNH2CYP2D6KDM4ECYP1A2TSHR | |
| SCHEMBL28858276 | 0.77 | ENPP3 (0.48) | KCNH2MEN1KMT2ACYP2D6KDM4E | |
| SCHEMBL2711485 | 0.77 | MAP4K4 (0.41) | KCNH2MEN1KMT2ACYP2D6ALDH1A1 | |
| SCHEMBL31327745 | 0.77 | ENPP3 (0.48) | KCNH2MEN1KMT2ACYP2D6KDM4E | |
| SCHEMBL7234880 | 0.77 | ADORA2A (0.63) | KCNH2MEN1KMT2ACYP2D6ALDH1A1 | |
| SCHEMBL2709144 | 0.77 | TNKS (0.44) | MEN1KMT2AALDH1A1KDM4ETSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6583156-B1 | Particularly adenosine A2A receptors; neurodegenerative disorders; 2,8-bis(trifluoromethyl)-alpha -(3-thienyl)-4-quinolinemethanol | VERNALIS RESEARCH LIMITED (GB) | 2003-06-24 | — | — | US | disclosed |
| EP-1107760-A2 | 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (I) | VERNALIS RESEARCH LIMITED (GB) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000013681-A2 | 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (I) | VERNALIS RESEARCH LIMITED (GB) | 2000-03-16 | — | — | WO | disclosed |