Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | EDNRB | P24530 | 1/20 | 0.40 |
| ▸ | EDNRA | P25101 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL935072 | 0.85 | CES1 (0.46) | CES1EDNRBEDNRACYP3A4CYP2D6 | |
| SCHEMBL251299 | 0.83 | CES1 (0.47) | CES1EDNRBEDNRACYP3A4CYP2D6 | |
| SCHEMBL6616083 | 0.81 | CES1 (0.40) | CES1EDNRBEDNRACYP3A4CYP2D6 | |
| SCHEMBL9065321 | 0.79 | CES1 (0.66) | CES1EDNRBEDNRACYP3A4CYP2D6 | |
| SCHEMBL36702 | 0.79 | CES1 (0.66) | CES1EDNRBEDNRACYP3A4CYP2D6 | |
| Acetophenone SCHEMBL27649666 | 0.77 | CES1 (0.58) | CES1CYP3A4CYP2D6LMNASMN1; SMN2 | |
| SCHEMBL5598169 | 0.75 | CES1 (0.75) | CES1EDNRBEDNRACYP3A4CYP2D6 | |
| SCHEMBL29277787 | 0.75 | CYP3A4 (0.40) | CES1EDNRBEDNRACYP3A4CYP2D6 | |
| SCHEMBL28641318 | 0.75 | CES1 (0.44) | CES1CYP3A4CYP2D6LMNASMN1; SMN2 | |
| SCHEMBL9256005 | 0.75 | KMT2A (0.44) | CES1EDNRBEDNRACYP3A4CYP2D6 |
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-1648449-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS | Astex Therapeutics Limited (GB) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005002576-A2 | IMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2005-01-13 | — | — | WO | disclosed |