Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.85 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 4/20 | 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 | |
|---|---|---|---|---|
| Bi-224436 SCHEMBL29450566 | 0.92 | CYP3A4 (1.00) | CYP3A4PSIP1NR1I2EDNRAKDM4E | |
| Bi-224436 SCHEMBL12987894 | 0.92 | CYP3A4 (1.00) | CYP3A4PSIP1NR1I2EDNRAKDM4E | |
| SCHEMBL13191166 | 0.90 | CYP3A4 (0.87) | CYP3A4PSIP1NR1I2EDNRAKDM4E | |
| SCHEMBL26076852 | 0.85 | CYP3A4 (0.78) | CYP3A4PSIP1EDNRAMAPK14 | |
| SCHEMBL12992220 | 0.85 | CYP3A4 (0.85) | CYP3A4PSIP1NR1I2MAPK14 | |
| SCHEMBL26076728 | 0.84 | CYP3A4 (0.77) | CYP3A4PSIP1EDNRA | |
| SCHEMBL1699485 | 0.83 | CYP3A4 (0.80) | CYP3A4PSIP1NR1I2MAPK14 | |
| SCHEMBL1699253 | 0.83 | CYP3A4 (0.80) | CYP3A4PSIP1NR1I2MAPK14 | |
| SCHEMBL1699486 | 0.83 | CYP3A4 (0.80) | CYP3A4PSIP1NR1I2MAPK14 | |
| SCHEMBL20212446 | 0.82 | CYP3A4 (0.76) | CYP3A4EDNRAKDM4EALDH1A1MAPT |
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-2012138670-A1 | PROCESS FOR THE PREPARATION OF AN HIV INTEGRASE INHIBITOR | GILEAD SCIENCES, INC. (US) | 2012-10-11 | — | — | WO | disclosed |