Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4191981 | 0.91 | ALDH1A1 (0.52) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1953789 | 0.87 | ALDH1A1 (0.46) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1787083 | 0.84 | ALDH1A1 (0.48) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4174879 | 0.83 | ALDH1A1 (0.47) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3932510 | 0.83 | ALDH1A1 (0.47) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1953793 | 0.83 | ALDH1A1 (0.42) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1953792 | 0.83 | ALDH1A1 (0.42) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4189521 | 0.82 | ALDH1A1 (0.46) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4177944 | 0.80 | KDM4E (0.44) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4555820 | 0.80 | KDM4E (0.44) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008150231-A1 | NEW HETEROCYCLIC COMPOUNDS FOR TREATMENT OF RESPIRATORY, AIRWAY OR INFLAMMATORY DISORDERS | ASTRAZENECA AB (SE) | 2008-12-11 | — | — | WO | disclosed |
| EP-1904451-A1 | ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS | Astex Therapeutics Limited (GB) | 2008-04-02 | — | — | EP | disclosed |
| WO-2006136830-A1 | ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |