Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL4247829 | 0.86 | CYP2C9 (0.52) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A | |
| SCHEMBL12152012 | 0.86 | POLB (0.39) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A | |
| SCHEMBL12151935 | 0.84 | POLB (0.38) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A | |
| SCHEMBL7657629 | 0.83 | CYP2C19 (0.54) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A | |
| SCHEMBL6442505 | 0.79 | CYP2C9 (0.56) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A | |
| SCHEMBL6442889 | 0.78 | CYP2C9 (0.55) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A | |
| SCHEMBL3843612 | 0.77 | POLB (0.71) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A | |
| SCHEMBL7651570 | 0.77 | CYP2C9 (0.52) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A | |
| SCHEMBL13325449 | 0.77 | CYP2D6 (0.41) | CYP2C9CYP2C19CYP2D6RAB9AKCNH2 | |
| SCHEMBL12215153 | 0.77 | CYP2C9 (0.54) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6469006-B1 | PARTICULARLY FOR TREATING HIV INFECTIONS | BRISTOL-MYERS SQUIBB COMPANY | 2002-10-22 | — | — | US | disclosed |
| EP-1105135-A4 | ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2001-12-12 | — | — | EP | disclosed |
| EP-1105135-A1 | ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-06-13 | — | — | EP | disclosed |
| WO-2000076521-A1 | ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |