Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27978821 | 0.92 | MAOA (0.45) | MAOAMAOBKDM4EGAAHSD11B1 | |
| SCHEMBL27677375 | 0.85 | MAOA (0.45) | MAOAMAOBKDM4EGAAHSD11B1 | |
| SCHEMBL3716772 | 0.85 | MAOA (0.45) | MAOAMAOBKDM4EGAAHSD11B1 | |
| SCHEMBL28475617 | 0.81 | MAOA (0.47) | MAOAMAOBKDM4EGAAHSD11B1 | |
| SCHEMBL31117994 | 0.81 | MEN1 (0.45) | MAOAMAOBKDM4EGAAALDH1A1 | |
| SCHEMBL5818358 | 0.81 | AKR1C1 (0.47) | MAOAMAOBKDM4EALDH1A1SLC6A2 | |
| SCHEMBL3619221 | 0.79 | ADRB2 (0.47) | MAOAMAOBKDM4EGAAALDH1A1 | |
| SCHEMBL29024354 | 0.79 | CYP2C19 (0.48) | MAOAMAOBKDM4EALDH1A1SLC6A2 | |
| SCHEMBL11373445 | 0.79 | CYP2C19 (0.48) | MAOAMAOBKDM4EALDH1A1SLC6A2 | |
| SCHEMBL6585961 | 0.79 | CYP2C19 (0.48) | MAOAMAOBKDM4EALDH1A1SLC6A2 |
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-5049696-A | Enzyme inhibitors | MERCK & CO., INC. (US) | 1991-09-17 | — | — | US | disclosed |
| US-4847306-A | ENZYME INHIBITORS | MERCK & CO., INC. (US) | 1989-07-11 | — | — | US | disclosed |
| EP-0245004-A2 | Antihypercholesterolemic compounds | MERCK & CO. INC. (US) | 1987-11-11 | — | — | EP | disclosed |