Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | ENPP2 | Q13822 | 7/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.46 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GPR27 | Q9NS67 | 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 | |
|---|---|---|---|---|
| SCHEMBL21624591 | 0.85 | CYP1A2 (0.52) | CYP1A2ENPP2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL21623377 | 0.80 | CYP1A2 (0.47) | CYP1A2ENPP2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16768721 | 0.79 | CYP1A2 (0.47) | CYP1A2ENPP2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL15076612 | 0.79 | CYP1A2 (0.46) | CYP1A2ENPP2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL15076378 | 0.78 | MAPT (0.51) | CYP1A2TP53 | |
| SCHEMBL15836202 | 0.77 | PTGS2 (0.37) | BCAT2 | |
| SCHEMBL15076729 | 0.77 | CYP3A4 (0.65) | CYP1A2ENPP2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL15076785 | 0.77 | TP53 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21623230 | 0.76 | CYP1A2 (0.65) | CYP1A2ENPP2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19157933 | 0.76 | CCR2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013096744-A1 | HEPATITIS B ANTIVIRAL AGENTS | NOVIRA THERAPEUTICS, INC. (US) | 2013-06-27 | — | — | WO | disclosed |