Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.52 |
| ▸ | HPGD | P15428 | 6/20 | 0.52 |
| ▸ | NPC1 | O15118 | 5/20 | 0.52 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 7/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16457723 | 0.84 | KDM4E (0.50) | KDM4EHPGDNPC1RAB9AALDH1A1 | |
| SCHEMBL461595 | 0.76 | KDM4E (0.55) | KDM4EHPGDNPC1RAB9AALDH1A1 | |
| SCHEMBL461844 | 0.76 | KDM4E (0.53) | KDM4EHPGDNPC1RAB9AALDH1A1 | |
| SCHEMBL10174452 | 0.76 | NR1I2 (0.62) | KDM4EHPGDNPC1RAB9AALDH1A1 | |
| SCHEMBL461032 | 0.75 | NPC1 (0.57) | KDM4EHPGDNPC1RAB9AALDH1A1 | |
| SCHEMBL462715 | 0.75 | KDM4E (0.57) | KDM4EHPGDNPC1RAB9AALDH1A1 | |
| SCHEMBL16457557 | 0.74 | AURKA (0.40) | KDM4EHPGDNPC1RAB9AALDH1A1 | |
| SCHEMBL460972 | 0.74 | NR1I2 (0.54) | KDM4EHPGDNPC1RAB9AALDH1A1 | |
| SCHEMBL461196 | 0.73 | KDM4E (0.52) | KDM4EHPGDNPC1RAB9AALDH1A1 | |
| SCHEMBL2047251 | 0.73 | PSIP1 (0.66) | KDM4EHPGDNPC1RAB9AALDH1A1 |
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-2614064-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | Bristol-Myers Squibb Company (US) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012033735-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |