Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 6/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12091025 | 0.94 | NR1I2 (0.66) | NR1I2NPC1RAB9AHPGDALDH1A1 | |
| SCHEMBL10174452 | 0.92 | NR1I2 (0.62) | NR1I2NPC1RAB9AHPGDALDH1A1 | |
| SCHEMBL470405 | 0.91 | NR1I2 (0.60) | NR1I2NPC1RAB9AHPGDALDH1A1 | |
| SCHEMBL470254 | 0.91 | NR1I2 (0.62) | NR1I2NPC1RAB9AHPGDALDH1A1 | |
| SCHEMBL10174780 | 0.90 | NR1I2 (0.61) | NR1I2NPC1RAB9AHPGDALDH1A1 | |
| SCHEMBL10175626 | 0.90 | NR1I2 (0.65) | NR1I2NPC1RAB9AHPGDALDH1A1 | |
| SCHEMBL470315 | 0.90 | NR1I2 (0.61) | NR1I2NPC1RAB9AHPGDALDH1A1 | |
| SCHEMBL12090996 | 0.90 | NR1I2 (0.60) | NR1I2NPC1RAB9AHPGDALDH1A1 | |
| SCHEMBL12091051 | 0.90 | NR1I2 (0.60) | NR1I2NPC1RAB9AHPGDALDH1A1 | |
| SCHEMBL15479182 | 0.89 | NR1I2 (0.62) | NR1I2NPC1RAB9AHPGDALDH1A1 |
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 |