Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 6/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | EIF4A3 | P38919 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | 0.90 | CYP2C19 (0.58) | CYP2C19CYP2D6CYP2C9CYP3A4EIF4A3 | |
| SCHEMBL7846375 | 0.87 | CYP2C19 (0.74) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL7655825 | 0.87 | CYP2C19 (0.74) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL7662372 | 0.85 | CYP2C19 (0.55) | CYP2C19CYP2D6CYP2C9CYP3A4EIF4A3 | |
| SCHEMBL7651473 | 0.83 | CYP2C19 (0.54) | CYP2C19CYP2D6CYP2C9CYP3A4EIF4A3 | |
| SCHEMBL4247829 | 0.83 | CYP2C9 (0.52) | CYP2C19CYP2D6CYP2C9CYP3A4KDM4E | |
| SCHEMBL7665279 | 0.81 | CYP2C19 (0.62) | CYP2C19CYP2D6CYP2C9CYP3A4GHSR | |
| SCHEMBL7655389 | 0.76 | CYP2C19 (0.54) | CYP2C19CYP2D6CYP2C9CYP3A4KDM4E | |
| SCHEMBL12151872 | 0.75 | POLB (0.46) | CYP2C19CYP2D6CYP2C9CYP3A4KDM4E | |
| SCHEMBL1732894 | 0.75 | POLB (0.46) | CYP2C19CYP2D6CYP2C9CYP3A4KDM4E |
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 |