Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.59 |
| ▸ | PLAU | P00749 | 2/20 | 0.48 |
| ▸ | F12 | P00748 | 1/20 | 0.48 |
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PLG | P00747 | 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 | |
|---|---|---|---|---|
| SCHEMBL29277533 | 0.86 | CYP2A6 (0.55) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL329993 | 0.84 | CYP2A6 (0.53) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL1052021 | 0.82 | CYP2A6 (0.52) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL5610261 | 0.82 | CYP2A6 (0.52) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL329994 | 0.82 | CYP2A6 (0.52) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL169719 | 0.82 | PLAU (0.52) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL29797287 | 0.82 | CYP2A6 (0.52) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL29482553 | 0.82 | PLAU (0.52) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL28393805 | 0.82 | CYP2A6 (0.52) | CYP2A6PLAUF12NCF1NOS3 | |
| Hydrochloric Acid SCHEMBL7319620 | 0.81 | CYP2A6 (0.50) | CYP2A6PLAUF12NCF1NOS3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4952589-A | HISTAMINE H2-ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1990-08-28 | — | — | US | disclosed |
| EP-0181163-B1 | HETEROCYCLIC PHENOXY DERIVATIVES HAVING AN ANTIHISTAMINE H2 ACTIVITY | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1989-12-20 | — | — | EP | disclosed |
| US-4681883-A | Histamine H2 -antagonist oxazole and thiazole derivatives and compositions therefor | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1987-07-21 | — | — | US | disclosed |
| EP-0181163-A2 | Heterocyclic phenoxy derivatives having an antihistamine H2 activity | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1986-05-14 | — | — | EP | disclosed |