Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8894974 | 0.86 | ADRB3 (0.49) | KMT2AALDH1A1CA12CA7CA9 | |
| SCHEMBL8896262 | 0.84 | ALDH1A1 (0.45) | KMT2AALDH1A1CA12CA7CA9 | |
| SCHEMBL7037486 | 0.83 | SLC7A5 (0.55) | CYP1A2CYP2D6CYP2C19KMT2AALDH1A1 | |
| SCHEMBL162806 | 0.83 | HDAC1 (0.62) | KMT2AALDH1A1CA12CA7CA9 | |
| SCHEMBL9231232 | 0.83 | ADRB3 (0.47) | CA12CA7CA9CA14HDAC1 | |
| SCHEMBL9231881 | 0.81 | HDAC1 (0.60) | ALDH1A1CA12CA7CA9CA14 | |
| Phosphine SCHEMBL27480219 | 0.81 | HDAC1 (0.60) | KMT2AALDH1A1CA12CA7CA9 | |
| SCHEMBL9233223 | 0.80 | FAAH (0.49) | KMT2AALDH1A1CA12CA7CA9 | |
| SCHEMBL9235461 | 0.79 | FAAH (0.51) | KMT2AALDH1A1HDAC1ADRB2ADRB1 | |
| SCHEMBL8894908 | 0.78 | CA12 (0.45) | KMT2AALDH1A1CA12CA7CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5597848-A | PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS | HOKURIKU SEIYAKU CO., LTD. (JP) | 1997-01-28 | — | — | US | disclosed |
| EP-0663392-A1 | BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF | HOKURIKU SEIYAKU CO., LTD. (JP) | 1995-07-19 | — | — | EP | disclosed |