Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | BCHE | P06276 | 4/20 | 0.46 |
| ▸ | ACHE | P22303 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.44 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.42 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13409365 | 0.82 | BCHE (0.43) | ALDH1A1KDM4EMAPTHPGDPOLB | |
| SCHEMBL23537370 | 0.78 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTHPGDPOLB | |
| SCHEMBL29824468 | 0.78 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTHPGDPOLB | |
| SCHEMBL13169612 | 0.77 | BCHE (0.50) | ALDH1A1KDM4EMAPTHPGDPOLB | |
| SCHEMBL22259795 | 0.73 | MAPT (0.57) | ALDH1A1KDM4EMAPTHPGDCYP1A2 | |
| SCHEMBL3263193 | 0.73 | ACHE (0.50) | ALDH1A1KDM4ECYP1A2CYP2C19BCHE | |
| SCHEMBL8349281 | 0.73 | BCHE (0.50) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL8349279 | 0.73 | ACHE (0.54) | ALDH1A1KDM4ECYP1A2CYP2C19KMT2A | |
| SCHEMBL1654050 | 0.73 | BCHE (0.50) | ALDH1A1KDM4EMAPTHPGDPOLB | |
| SCHEMBL8272977 | 0.72 | BCHE (0.46) | ALDH1A1KDM4EMAPTHPGDPOLB |
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-1505963-B9 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-09-21 | — | — | EP | disclosed |
| EP-1505963-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-04-20 | — | — | EP | disclosed |