Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | FAAH | O00519 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.47 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10500657 | 0.97 | CYP2D6 (0.56) | CYP2D6ALDH1A1CYP3A4HSD17B10KDM4E | |
| SCHEMBL971337 | 0.89 | CYP2D6 (0.70) | CYP2D6ALDH1A1CYP3A4HSD17B10KDM4E | |
| SCHEMBL11837094 | 0.87 | CYP2D6 (0.56) | CYP2D6ALDH1A1CYP3A4HSD17B10KDM4E | |
| SCHEMBL10499605 | 0.87 | CYP2D6 (0.63) | CYP2D6ALDH1A1CYP3A4HSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL10499598 | 0.85 | CYP2D6 (0.61) | CYP2D6ALDH1A1CYP3A4HSD17B10KDM4E | |
| SCHEMBL3210066 | 0.81 | CYP2D6 (0.76) | CYP2D6ALDH1A1CYP3A4HSD17B10OPRL1 | |
| Hydrochloric Acid SCHEMBL28822566 | 0.81 | CYP2D6 (0.60) | CYP2D6ALDH1A1CYP3A4HSD17B10KDM4E | |
| SCHEMBL2985624 | 0.81 | NPFFR1 (0.62) | CYP2D6ALDH1A1CYP3A4HSD17B10KDM4E | |
| SCHEMBL6045494 | 0.80 | NPFFR1 (0.61) | CYP2D6ALDH1A1CYP3A4HSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL5240984 | 0.80 | NPFFR1 (0.61) | CYP2D6ALDH1A1CYP3A4HSD17B10KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0121972-B1 | N-ARYL-ALPHA-AMINO-CARBOXAMIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-05-24 | — | — | EP | disclosed |