Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 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 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12215153 | 0.80 | CYP2C9 (0.54) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A | |
| SCHEMBL7661762 | 0.80 | CYP2C9 (0.54) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A | |
| SCHEMBL7657629 | 0.79 | CYP2C19 (0.54) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A | |
| SCHEMBL1763556 | 0.77 | CYP2C9 (0.54) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A | |
| SCHEMBL6445201 | 0.77 | CYP2C9 (0.53) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A | |
| SCHEMBL7652677 | 0.76 | CYP2C9 (0.50) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A | |
| SCHEMBL12788244 | 0.76 | CYP2C9 (0.55) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A | |
| SCHEMBL3843612 | 0.76 | POLB (0.71) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A | |
| SCHEMBL10266759 | 0.76 | CYP2C9 (0.54) | CYP2C9CYP2C19CYP2D6CYP3A4RAB9A | |
| SCHEMBL2629183 | 0.75 | CYP2C9 (0.59) | CYP2C9CYP2C19CYP2D6CYP3A4CYP1A2 |
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 |