Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 5/20 | 0.65 |
| ▸ | HTT | P42858 | 1/20 | 0.65 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.65 |
| ▸ | GFER | P55789 | 1/20 | 0.59 |
| ▸ | CYP46A1 | Q9Y6A2 | 7/20 | 0.55 |
| ▸ | CCR5 | P51681 | 1/20 | 0.53 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8301611 | 0.79 | MAPK14 (1.00) | HTTMAPK14GFERCYP2C19DRD2 | |
| SCHEMBL28978304 | 0.79 | MAPK14 (0.65) | AVPR1AHTTMAPK14GFERCCR5 | |
| SCHEMBL16598785 | 0.77 | MAPK14 (0.78) | HTTMAPK14GFERCYP2C9DRD2 | |
| SCHEMBL8710480 | 0.77 | GRIN2B (0.71) | HTTMAPK14GFERCYP2C9CYP2C19 | |
| SCHEMBL615742 | 0.77 | AVPR1A (0.61) | AVPR1ACYP46A1AVPR1BCYP3A4CYP2C8 | |
| SCHEMBL289605 | 0.76 | POLB (0.74) | AVPR1AHTTMAPK14GFERCYP2C9 | |
| SCHEMBL8708574 | 0.76 | GFER (0.59) | AVPR1AHTTMAPK14GFERCCR5 | |
| SCHEMBL16051297 | 0.76 | AVPR1A (0.69) | AVPR1ACYP46A1AVPR1BCYP3A4CYP2C8 | |
| SCHEMBL1144650 | 0.75 | GFER (0.68) | AVPR1AHTTMAPK14GFERCCR5 | |
| SCHEMBL28481273 | 0.75 | GFER (0.68) | AVPR1AHTTMAPK14GFERCCR5 |
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-1998028292-A1 | NOVEL PIPERIDINE CONTAINING COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-07-02 | — | — | WO | disclosed |