Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6441405 | 0.92 | CYP2C9 (0.54) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL6444265 | 0.91 | CYP2C9 (0.47) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL6443777 | 0.88 | CYP2C9 (0.49) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL6442373 | 0.88 | CYP2C9 (0.49) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL6445443 | 0.87 | CYP2C9 (0.50) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL6442400 | 0.86 | CYP2C9 (0.51) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL6445237 | 0.86 | CYP2C9 (0.49) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL6441380 | 0.86 | CYP2C9 (0.47) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL6445818 | 0.86 | CYP2C9 (0.47) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL6442030 | 0.86 | CYP2C9 (0.47) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 |
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-1299382-B1 | COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2005-09-21 | — | — | EP | claimed |