Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL496557 | 0.97 | ALDH1A1 (0.44) | ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9 | |
| Water SCHEMBL19100116 | 0.94 | ALDH1A1 (0.43) | ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9 | |
| SCHEMBL14200441 | 0.83 | CYP1B1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19TDP1 | |
| SCHEMBL14199949 | 0.83 | CES2 (0.56) | ALDH1A1CYP1A2NPSR1L3MBTL1CES2 | |
| SCHEMBL5234410 | 0.83 | PDE4A (0.37) | ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9 | |
| SCHEMBL14199697 | 0.83 | TPMT (0.44) | ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9 | |
| Sulfamide SCHEMBL28405068 | 0.83 | NPSR1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL5234415 | 0.83 | PDE4A (0.37) | ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9 | |
| SCHEMBL10994777 | 0.83 | CYP1B1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19TDP1 | |
| SCHEMBL27744506 | 0.83 | CYP1B1 (0.44) | ALDH1A1CYP19A1CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103917522-B | Process for producing N- (hetero) arylazoles | 高砂香料工业株式会社 | 2016-06-15 | — | — | CN | claimed |
| CN-109553720-A | Polydiene and diene copolymers with organic phosphine function | 株式会社普利司通 | 2019-04-02 | — | — | CN | disclosed |
| CN-103917522-B | Process for producing N- (hetero) arylazoles | 高砂香料工业株式会社 | 2016-06-15 | — | — | CN | disclosed |