Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | AKT2 | P31751 | 1/20 | 0.31 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL463092 | 1.00 | NR1I2 (0.69) | NR1I2CYP3A4AKT1AKT2PSIP1 | |
| SCHEMBL459580 | 0.94 | NR1I2 (0.68) | NR1I2CYP3A4PSIP1 | |
| SCHEMBL12091349 | 0.94 | NR1I2 (0.68) | NR1I2CYP3A4PSIP1 | |
| SCHEMBL462664 | 0.94 | NR1I2 (0.78) | NR1I2CYP3A4PSIP1 | |
| SCHEMBL461679 | 0.94 | NR1I2 (0.78) | NR1I2CYP3A4PSIP1 | |
| SCHEMBL461693 | 0.94 | NR1I2 (0.67) | NR1I2CYP3A4AKT1AKT2PSIP1 | |
| SCHEMBL456824 | 0.94 | NR1I2 (0.67) | NR1I2CYP3A4AKT1AKT2PSIP1 | |
| SCHEMBL470442 | 0.94 | NR1I2 (0.69) | NR1I2CYP3A4PSIP1 | |
| SCHEMBL460947 | 0.92 | NR1I2 (0.65) | NR1I2CYP3A4PSIP1 | |
| SCHEMBL461267 | 0.92 | NR1I2 (0.65) | NR1I2CYP3A4PSIP1 |
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-2012033735-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |