Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 6/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9758652 | 0.99 | MAOA (0.37) | MAOAMAOBCYP1A2BCHECYP3A4 | |
| SCHEMBL9757852 | 0.96 | MAOA (0.36) | MAOAMAOBCYP1A2BCHECYP3A4 | |
| SCHEMBL9759087 | 0.96 | CYP1A2 (0.41) | MAOAMAOBCYP1A2BCHESPHK1 | |
| SCHEMBL9758966 | 0.95 | TSHR (0.37) | MAOAMAOBCYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9759568 | 0.94 | SPHK1 (0.40) | BCHECYP3A4SPHK1HRH3ITGB3 | |
| SCHEMBL9757952 | 0.93 | SPHK1 (0.43) | CYP3A4S1PR3SPHK1ITGB3ITGA2B | |
| SCHEMBL9758033 | 0.92 | CYP1A2 (0.38) | MAOAMAOBCYP1A2BCHEHRH3 | |
| SCHEMBL9759330 | 0.91 | SPHK1 (0.40) | CYP1A2BCHECYP3A4SPHK1HRH3 | |
| SCHEMBL9758978 | 0.90 | MAOA (0.40) | MAOAMAOBBCHECYP2C9HRH3 | |
| SCHEMBL9759834 | 0.89 | SPHK1 (0.40) | BCHECYP3A4SPHK1HRH3NPC1 |
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-4985583-A | Liquid Crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-01-15 | — | — | US | disclosed |
| EP-0154849-A2 | Cyclohexane derivatives | MERCK PATENT GmbH (DE) | 1985-09-18 | — | — | EP | disclosed |