Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | TACR2 | P21452 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9757785 | 0.99 | MAOA (0.38) | MAOAMAOBSPHK1CYP3A4CYP2C8 | |
| SCHEMBL9758966 | 0.96 | TSHR (0.37) | MAOAMAOBSPHK1CYP3A4CYP2C8 | |
| SCHEMBL9757852 | 0.95 | MAOA (0.36) | MAOAMAOBSPHK1CYP3A4CYP2C8 | |
| SCHEMBL9757952 | 0.94 | SPHK1 (0.43) | SPHK1CYP3A4S1PR3ITGB3ITGA2B | |
| SCHEMBL9759087 | 0.94 | CYP1A2 (0.41) | MAOAMAOBSPHK1CYP1A2BCHE | |
| SCHEMBL9759568 | 0.93 | SPHK1 (0.40) | SPHK1CYP3A4ITGB3ITGA2BESR1 | |
| SCHEMBL9758033 | 0.90 | CYP1A2 (0.38) | MAOAMAOBCYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL9759330 | 0.90 | SPHK1 (0.40) | SPHK1CYP3A4ITGB3ITGA2BCYP1A2 | |
| SCHEMBL9758978 | 0.88 | MAOA (0.40) | MAOAMAOBCYP2C9HTR2CHTR2A | |
| SCHEMBL9759834 | 0.87 | SPHK1 (0.40) | SPHK1CYP3A4ESR1ADRA2AADORA3 |
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 |