Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 4/20 | 0.35 |
| ▸ | HTR2C | P28335 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17014301 | 0.72 | CA1 (0.39) | KDM4EGAACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8533808 | 0.69 | BRD4 (0.47) | KDM4EGAACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16470960 | 0.68 | MEN1 (0.39) | KDM4EGAACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL15617597 | 0.67 | KDM4E (0.37) | KDM4EGAACYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL6554723 | 0.65 | HTR2C (0.33) | KDM4EGAACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8865571 | 0.63 | SLC6A2 (0.42) | KDM4EGAAALDH1A1MAPTHPGD | |
| SCHEMBL8027390 | 0.62 | MAOA (0.53) | CYP2D6MEN1KMT2AHTR1AHTR5A | |
| SCHEMBL8729417 | 0.60 | ACHE (0.45) | — | |
| SCHEMBL18287892 | 0.60 | HTR2A (0.45) | KDM4EGAACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31042717 | 0.59 | KDM4E (0.39) | KDM4ECYP3A4CYP2D6CYP2C19TP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2601188-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-10-18 | — | — | EP | disclosed |
| EP-2242751-B1 | HETEROCYCLIC DERIVATIVES AS HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2015-07-15 | — | — | EP | disclosed |
| EP-2414352-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-10-01 | — | — | EP | disclosed |