Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.65 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.65 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 6/20 | 0.38 |
| ▸ | MAOB | P27338 | 6/20 | 0.38 |
| ▸ | KDM1A | O60341 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL24923715 | 0.94 | AKR1C3 (0.60) | AKR1C3AKR1C1NPC1RAB9AGRIN2B | |
| SCHEMBL717453 | 0.92 | AKR1C3 (0.74) | AKR1C3AKR1C1NPC1RAB9AGRIN2B | |
| SCHEMBL11665023 | 0.92 | AKR1C3 (0.74) | AKR1C3AKR1C1NPC1RAB9AGRIN2B | |
| SCHEMBL7388336 | 0.92 | AKR1C3 (0.74) | AKR1C3AKR1C1NPC1RAB9AGRIN2B | |
| SCHEMBL26144401 | 0.78 | AKR1C3 (1.00) | AKR1C3AKR1C1NPC1RAB9AMAPT | |
| SCHEMBL17811172 | 0.78 | AKR1C3 (1.00) | AKR1C3AKR1C1NPC1RAB9AMAPT | |
| SCHEMBL716700 | 0.78 | AKR1C3 (0.52) | AKR1C3AKR1C1NPC1RAB9AMAPT | |
| SCHEMBL1073107 | 0.78 | AKR1C3 (1.00) | AKR1C3AKR1C1NPC1RAB9AMAPT | |
| SCHEMBL18601385 | 0.78 | AKR1C3 (0.67) | AKR1C3AKR1C1NPC1RAB9AGRIN2B | |
| SCHEMBL10892934 | 0.78 | AKR1C3 (0.67) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113195055-A | 5-membered heteroaryl carboxamide compounds for HBV therapy | 组装生物科学股份有限公司 | 2021-07-30 | — | — | CN | disclosed |