Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 7/20 | 0.61 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | BAZ1A | Q9NRL2 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 6/20 | 0.39 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL27630991 | 0.89 | EGFR (0.64) | EGFRIMPDH2NOTUMHPGDSALDH1A1 | |
| SCHEMBL3942891 | 0.87 | EGFR (0.61) | EGFRBAZ1AALDH1A1F2GLA | |
| SCHEMBL6825418 | 0.86 | EGFR (0.59) | EGFRIMPDH2NOTUMBAZ1AHPGDS | |
| SCHEMBL8520119 | 0.83 | EGFR (0.65) | EGFRIMPDH2NOTUMBAZ1AHPGDS | |
| SCHEMBL13837704 | 0.79 | EGFR (0.73) | EGFRIMPDH2NOTUMBAZ1AHPGDS | |
| SCHEMBL535665 | 0.76 | EGFR (0.64) | EGFRALDH1A1F2GLAHPGD | |
| SCHEMBL668493 | 0.76 | EGFR (1.00) | EGFRHPGDSALDH1A1 | |
| SCHEMBL30241125 | 0.76 | EGFR (1.00) | EGFRHPGDSALDH1A1 | |
| SCHEMBL29517021 | 0.76 | EGFR (1.00) | EGFRHPGDSALDH1A1 | |
| SCHEMBL933273 | 0.75 | CYP3A4 (0.56) | ALDH1A1 |
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-1228060-A1 | ARYLALKANE, ARYLALKENE AND ARYL AZAALKANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF | Boehringer Ingelheim Pharma KG (DE) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001032649-A1 | ARYLALKANE, ARYLALKENE AND ARYL AZAALKANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-05-10 | — | — | WO | disclosed |