Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | PTAFR | P25105 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11524733 | 0.85 | AKR1B1 (0.56) | CES1AKR1B1ALDH1A1KDM4ETDP1 | |
| SCHEMBL11524864 | 0.84 | CES1 (0.53) | CES1AKR1B1ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL2768852 | 0.80 | TSHR (0.53) | CES1AKR1B1ALDH1A1KDM4ETDP1 | |
| SCHEMBL9642938 | 0.78 | CES1 (0.59) | CES1AKR1B1ALDH1A1KDM4ETDP1 | |
| SCHEMBL11524865 | 0.77 | ALDH1A1 (0.47) | ALDH1A1KDM4ETDP1L3MBTL1HPGD | |
| SCHEMBL44496 | 0.76 | CES1 (0.90) | CES1AKR1B1ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL29408351 | 0.76 | CES1 (0.90) | CES1AKR1B1ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL29437756 | 0.76 | CES1 (0.90) | CES1AKR1B1ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL2768029 | 0.76 | AKR1B1 (0.50) | CES1AKR1B1ALDH1A1KDM4ETDP1 | |
| SCHEMBL11683792 | 0.75 | CES1 (0.59) | CES1AKR1B1TDP1L3MBTL1MAOA |
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 |