Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | PTGFR | P43088 | 3/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL463413 | 0.91 | KDM4E (0.39) | KDM4EPSIP1KMT2AALDH1A1MEN1 | |
| SCHEMBL461591 | 0.80 | GRM5 (0.37) | KMT2APDE4APDE4CPDE4DTP53 | |
| SCHEMBL461161 | 0.77 | PDE4A (0.41) | KDM4EKMT2AALDH1A1MEN1PDE4A | |
| SCHEMBL463049 | 0.77 | KDM4E (0.50) | KDM4EKMT2AALDH1A1MEN1TP53 | |
| SCHEMBL10175062 | 0.77 | PDE4A (0.41) | KDM4EKMT2AALDH1A1MEN1PDE4A | |
| SCHEMBL461920 | 0.75 | CYP3A4 (0.44) | PSIP1TP53THRBPIN1CYP3A4 | |
| SCHEMBL470322 | 0.73 | PDE4A (0.39) | KDM4EKMT2AALDH1A1MEN1PDE4A | |
| SCHEMBL460739 | 0.71 | KDM4E (0.51) | KDM4EKMT2AALDH1A1MEN1TP53 | |
| SCHEMBL461469 | 0.71 | XPO1 (0.46) | KDM4EKMT2AALDH1A1MEN1PDE4A | |
| SCHEMBL5095459 | 0.69 | KDM4E (0.47) | KDM4EPTGFRTSHR |
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 |