Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5766175 | 0.77 | — | — | |
| SCHEMBL12974084 | 0.74 | GABRA1 (0.48) | KMT2ACYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL3415192 | 0.74 | ERN1 (0.32) | ALDH1A1ERN1TDP1 | |
| SCHEMBL3637979 | 0.73 | ALDH1A1 (0.40) | KMT2AALDH1A1KDM4EHPGDL3MBTL1 | |
| SCHEMBL3979239 | 0.72 | ERN1 (0.39) | KMT2AALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL20445958 | 0.71 | GAA (0.43) | KMT2AALDH1A1KDM4EHPGDTSHR | |
| SCHEMBL54507 | 0.71 | KMT2A (0.47) | KMT2ACYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL20550917 | 0.70 | HTR2A (0.40) | CYP1A2CYP2C19ALDH1A1CA1CA2 | |
| SCHEMBL20551547 | 0.70 | HTT (0.42) | CYP2D6ALDH1A1CA1CA2ERN1 | |
| SCHEMBL8813549 | 0.70 | KMT2A (0.35) | KMT2ACYP1A2CYP2D6CYP2C19ALDH1A1 |
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-2265606-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2010-12-29 | — | — | EP | disclosed |
| WO-2009129109-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-10-22 | — | — | WO | disclosed |