Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.35 |
| ▸ | FABP4 | P15090 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17029056 | 1.00 | NR1I2 (0.42) | NR1I2CYP3A4PSIP1FABP4 | |
| SCHEMBL20344817 | 0.94 | NR1I2 (0.36) | NR1I2CYP3A4FABP4 | |
| SCHEMBL18364988 | 0.94 | NR1I2 (0.36) | NR1I2CYP3A4FABP4 | |
| SCHEMBL17029048 | 0.92 | NR1I2 (0.44) | NR1I2CYP3A4PSIP1FABP4 | |
| SCHEMBL17039243 | 0.92 | NR1I2 (0.44) | NR1I2CYP3A4PSIP1FABP4 | |
| SCHEMBL17029029 | 0.92 | NR1I2 (0.44) | NR1I2CYP3A4PSIP1FABP4 | |
| SCHEMBL17029058 | 0.90 | NR1I2 (0.44) | NR1I2CYP3A4PSIP1FABP4 | |
| SCHEMBL17029018 | 0.89 | NR1I2 (0.40) | NR1I2CYP3A4PSIP1FABP4 | |
| SCHEMBL17039253 | 0.86 | NR1I2 (0.39) | NR1I2CYP3A4FABP4 | |
| SCHEMBL18364984 | 0.86 | NR1I2 (0.39) | NR1I2CYP3A4FABP4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3107913-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE (NO.5) LIMITED (GB) | 2016-12-28 | — | — | EP | disclosed |
| WO-2015126765-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-27 | — | — | WO | disclosed |