Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 4/20 | 0.52 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.52 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL461428 | 0.90 | DPP4 (0.48) | DPP4DPP8DPP9CYP3A4CYP2C9 | |
| SCHEMBL463056 | 0.84 | DPP4 (0.47) | DPP4DPP8DPP9CYP3A4CYP2C9 | |
| SCHEMBL461396 | 0.82 | DPP4 (0.46) | DPP4DPP8DPP9CYP3A4CYP2C9 | |
| SCHEMBL463058 | 0.81 | NPSR1 (0.44) | DPP4DPP8DPP9NPSR1KMT2A | |
| SCHEMBL12079176 | 0.81 | DPP4 (0.50) | DPP4DPP8DPP9CYP3A4CYP2C9 | |
| SCHEMBL461152 | 0.78 | DPP4 (0.47) | DPP4DPP8DPP9CYP3A4CYP2C9 | |
| SCHEMBL461843 | 0.77 | DPP4 (0.46) | DPP4DPP8DPP9NPSR1KMT2A | |
| SCHEMBL462684 | 0.77 | MAPT (0.79) | DPP4DPP8DPP9CYP3A4CYP2C9 | |
| SCHEMBL12079870 | 0.76 | NR1I2 (0.59) | DPP4DPP8DPP9CYP3A4CYP2C9 | |
| SCHEMBL462612 | 0.76 | NR1I2 (0.59) | DPP4DPP8DPP9CYP3A4CYP2C9 |
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 |