Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PSIP1 | O75475 | 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 | |
|---|---|---|---|---|
| SCHEMBL12091054 | 0.90 | NR1I2 (0.65) | NR1I2MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL470280 | 0.88 | NR1I2 (0.65) | NR1I2MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL12091029 | 0.88 | NR1I2 (0.65) | NR1I2MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL10174792 | 0.88 | NR1I2 (0.65) | NR1I2MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL470257 | 0.88 | NR1I2 (0.63) | NR1I2MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL470394 | 0.88 | NR1I2 (0.64) | NR1I2MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL12091025 | 0.87 | NR1I2 (0.66) | NR1I2MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL12090963 | 0.86 | NR1I2 (0.66) | NR1I2MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL470279 | 0.86 | NR1I2 (0.62) | NR1I2MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL12091033 | 0.86 | NR1I2 (0.66) | NR1I2MAPTNPC1RAB9AALDH1A1 |
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 |