Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 3/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7353201 | 0.78 | CES1 (0.45) | CES1HTR1AMEN1KMT2AALDH1A1 | |
| SCHEMBL7345026 | 0.74 | AADAT (0.49) | CES1HTR1AMEN1GAAKMT2A | |
| Hydrochloric Acid SCHEMBL7344851 | 0.73 | AADAT (0.48) | CES1HTR1AMEN1GAAKMT2A | |
| SCHEMBL6338659 | 0.73 | DRD2 (0.43) | CES1HTR1AACHE | |
| SCHEMBL7340929 | 0.70 | MTNR1A (0.42) | CES1HTR1AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7341721 | 0.67 | CES1 (0.43) | CES1HTR1AMEN1GAAKMT2A | |
| SCHEMBL988203 | 0.66 | CES1 (0.56) | CES1NPC1TTRMEN1GAA | |
| SCHEMBL1762224 | 0.64 | CES1 (0.57) | CES1 | |
| SCHEMBL3133027 | 0.63 | CES1 (0.46) | CES1HTR1AMEN1GAAKMT2A | |
| SCHEMBL9560034 | 0.62 | CES1 (0.50) | CES1NPC1TTRHTR1AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1990015058-A1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1990-12-13 | — | — | WO | disclosed |