Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | GSR | P00390 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | LIG1 | P18858 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | HNF4A | P41235 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11524864 | 0.85 | CES1 (0.53) | AKR1B1CES1ALDH1A1L3MBTL1MAPT | |
| SCHEMBL11523892 | 0.85 | CES1 (0.53) | AKR1B1CES1ALDH1A1L3MBTL1MAPT | |
| SCHEMBL15330692 | 0.82 | ALDH1A1 (0.50) | ALDH1A1MAPTKDM4EHSP90AA1HPGD | |
| SCHEMBL29950657 | 0.82 | ALDH1A1 (0.50) | ALDH1A1MAPTKDM4EHSP90AA1HPGD | |
| SCHEMBL2770985 | 0.80 | ALDH1A1 (0.46) | AKR1B1CES1ALDH1A1L3MBTL1LMNA | |
| SCHEMBL11687006 | 0.79 | MAOB (0.52) | ALDH1A1LMNAMAPTMAOAMAOB | |
| SCHEMBL2768852 | 0.78 | TSHR (0.53) | AKR1B1CES1ALDH1A1L3MBTL1LMNA | |
| SCHEMBL11001708 | 0.78 | HSP90AA1 (0.51) | ALDH1A1L3MBTL1SRD5A1SRD5A2MAOA | |
| SCHEMBL11007908 | 0.78 | HSP90AA1 (0.51) | ALDH1A1L3MBTL1MAPTSRD5A1SRD5A2 | |
| SCHEMBL44496 | 0.78 | CES1 (0.90) | AKR1B1CES1ALDH1A1L3MBTL1MAPT |
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-4136116-A | ANTIDEPRESSANTS | HOFFMANN-LA ROCHE INC. (US) | 1979-01-23 | — | — | US | disclosed |
| US-3952017-A | 5-HYDROXY-5-(METHYL OR ALKYLMETHYL-AMINOPROPYL)- 5H-DIBENZO(A,D)CYCLOHEPTENES, ANTIDEPRESSANT | HOFFMANN-LA ROCHE INC. (US) | 1976-04-20 | — | — | US | disclosed |