Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.63 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.63 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.63 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.63 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.63 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.63 |
| ▸ | HTR1A | P08908 | 1/20 | 0.63 |
| ▸ | DRD2 | P14416 | 1/20 | 0.63 |
| ▸ | TACR2 | P21452 | 1/20 | 0.63 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.63 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.63 |
| ▸ | DRD3 | P35462 | 1/20 | 0.63 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.63 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.63 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.63 |
| ▸ | HTR2B | P41595 | 1/20 | 0.63 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.63 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.63 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL8709300 | 1.00 | CYP3A4 (0.63) | CYP3A4ABCC3ABCC4CACNA1FABCB11 | |
| SCHEMBL8712273 | 0.92 | CYP3A4 (0.58) | CYP3A4ABCC3ABCC4CACNA1FABCB11 | |
| SCHEMBL8712270 | 0.92 | CYP3A4 (0.58) | CYP3A4ABCC3ABCC4CACNA1FABCB11 | |
| SCHEMBL8709400 | 0.91 | CYP3A4 (0.57) | CYP3A4ABCC3ABCC4CACNA1FABCB11 | |
| SCHEMBL8709404 | 0.91 | CYP3A4 (0.57) | CYP3A4ABCC3ABCC4CACNA1FABCB11 | |
| SCHEMBL8709345 | 0.91 | CYP3A4 (0.54) | CYP3A4ABCC3ABCC4CACNA1FABCB11 | |
| SCHEMBL8709342 | 0.91 | CYP3A4 (0.54) | CYP3A4ABCC3ABCC4CACNA1FABCB11 | |
| SCHEMBL8565525 | 0.90 | CYP3A4 (0.63) | CYP3A4ABCC3ABCC4CACNA1FABCB11 | |
| SCHEMBL8709951 | 0.89 | CYP3A4 (0.58) | CYP3A4ABCC3ABCC4CACNA1FABCB11 | |
| SCHEMBL6445008 | 0.86 | CYP3A4 (0.62) | CYP3A4ABCC3ABCC4CACNA1FABCB11 |
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 |
|---|---|---|---|---|---|---|---|
| US-5753652-A | Antiretroviral hydrazine derivatives | NOVARTIS CORPORATION (US) | 1998-05-19 | — | — | US | disclosed |