Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 5/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 5/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | EIF4A3 | P38919 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.37 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.37 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7657201 | 0.88 | CYP2C19 (0.58) | CYP2C19CYP2D6CYP2C9CYP3A4GABRA1 | |
| SCHEMBL7846375 | 0.85 | CYP2C19 (0.74) | CYP2C19CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL7655825 | 0.85 | CYP2C19 (0.74) | CYP2C19CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL7658565 | 0.83 | CYP2C19 (0.55) | CYP2C19CYP2D6CYP2C9CYP3A4EIF4A3 | |
| SCHEMBL7662372 | 0.83 | CYP2C19 (0.55) | CYP2C19CYP2D6CYP2C9CYP3A4GABRA1 | |
| SCHEMBL7665279 | 0.79 | CYP2C19 (0.62) | CYP2C19CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL4247829 | 0.79 | CYP2C9 (0.52) | CYP2C19CYP2D6CYP2C9CYP3A4LMNA | |
| SCHEMBL14122432 | 0.73 | GABRA1 (0.39) | CYP2C19CYP2D6CYP2C9CYP3A4GABRA1 | |
| SCHEMBL14122819 | 0.72 | GABRA1 (0.38) | CYP2C19CYP2D6CYP2C9GABRA1GABRG2 | |
| SCHEMBL12151892 | 0.72 | POLB (0.45) | CYP2C19CYP2D6CYP2C9CYP3A4GABRA1 |
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 |