Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1358011 | 0.93 | CYP3A4 (0.37) | CYP3A4BRD4RORCF10ALDH1A1 | |
| SCHEMBL1359499 | 0.93 | CYP3A4 (0.37) | CYP3A4BRD4RORCF10ALDH1A1 | |
| SCHEMBL1360367 | 0.93 | CYP3A4 (0.34) | CYP3A4BRD4RORCF10ALDH1A1 | |
| SCHEMBL1360027 | 0.92 | NPY5R (0.33) | CYP3A4BRD4RORCF10ALDH1A1 | |
| SCHEMBL1358409 | 0.89 | ALDH1A1 (0.36) | CYP3A4ALDH1A1TDP1 | |
| SCHEMBL1359241 | 0.89 | ALDH1A1 (0.36) | CYP3A4ALDH1A1TDP1 | |
| SCHEMBL1360029 | 0.89 | ALDH1A1 (0.36) | CYP3A4ALDH1A1TDP1 | |
| SCHEMBL1359531 | 0.89 | KCNH2 (0.33) | CYP3A4HTR2C | |
| SCHEMBL1360760 | 0.88 | HTR2C (0.36) | CYP3A4RORCHTR2C | |
| SCHEMBL1972033 | 0.87 | CYP3A4 (0.39) | CYP3A4 |
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-8067442-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2011-11-29 | — | — | US | claimed |