Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | SCD5 | Q86SK9 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL3859730 | 0.84 | AKR1C3 (0.54) | AKR1C3AKR1C1PARP1NPC1RIPK1 | |
| SCHEMBL4618863 | 0.83 | KDM1A (0.43) | AKR1C3AKR1C1PARP1POLBTDP1 | |
| SCHEMBL29428983 | 0.82 | NOTUM (0.41) | AKR1C3AKR1C1POLBHTT | |
| SCHEMBL29428965 | 0.81 | HTT (0.39) | ALDH1A1HTTGAAHTR2AHTR2C | |
| SCHEMBL29428993 | 0.78 | NOTUM (0.38) | AKR1C3AKR1C1RIPK1ALDH1A1POLB | |
| SCHEMBL29705691 | 0.77 | DRD2 (0.41) | AKR1C3AKR1C1ALDH1A1POLBHTT | |
| SCHEMBL3664867 | 0.75 | RAB9A (0.54) | AKR1C3AKR1C1NPC1CYP1A2CYP2C9 | |
| SCHEMBL8410986 | 0.75 | S1PR5 (0.41) | CYP1A2 | |
| SCHEMBL29705700 | 0.74 | SIRT2 (0.41) | — | |
| SCHEMBL29428980 | 0.74 | AKR1C3 (0.41) | AKR1C3AKR1C1RIPK1ALDH1A1POLB |
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-113979977-A | Hexa-membered oxygen heterocyclic compound and synthetic method thereof | 上海麦克林生化科技有限公司 | 2022-01-28 | — | — | CN | disclosed |