Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.74 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.74 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 8/20 | 0.43 |
| ▸ | MAOA | P21397 | 7/20 | 0.43 |
| ▸ | KDM1A | O60341 | 5/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11665023 | 1.00 | AKR1C3 (0.74) | AKR1C3AKR1C1NPC1RAB9AGRIN2B | |
| SCHEMBL717453 | 1.00 | AKR1C3 (0.74) | AKR1C3AKR1C1NPC1RAB9AGRIN2B | |
| SCHEMBL28629508 | 0.92 | AKR1C3 (0.65) | AKR1C3AKR1C1NPC1RAB9AGRIN2B | |
| SCHEMBL17811172 | 0.85 | AKR1C3 (1.00) | AKR1C3AKR1C1NPC1RAB9AMAPT | |
| SCHEMBL1073107 | 0.85 | AKR1C3 (1.00) | AKR1C3AKR1C1NPC1RAB9AMAPT | |
| SCHEMBL26144401 | 0.85 | AKR1C3 (1.00) | AKR1C3AKR1C1NPC1RAB9AMAPT | |
| SCHEMBL24923715 | 0.84 | AKR1C3 (0.60) | AKR1C3AKR1C1NPC1RAB9AGRIN2B | |
| Bicarbonate SCHEMBL7576375 | 0.83 | AKR1C3 (0.57) | AKR1C3AKR1C1NPC1RAB9AGRIN2B | |
| SCHEMBL16700099 | 0.83 | AKR1C3 (0.53) | AKR1C3AKR1C1NPC1RAB9AGRIN2B | |
| SCHEMBL7945471 | 0.83 | AKR1C3 (0.58) | AKR1C3AKR1C1NPC1RAB9AGRIN2B |
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-6054448-A | TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM. | ELI LILLY AND COMPANY LIMITED (GB) | 2000-04-25 | — | — | US | disclosed |
| EP-0837061-A1 | Pharmaceutical acidic compounds | ELI LILLY AND COMPANY LIMITED (GB) | 1998-04-22 | — | — | EP | disclosed |