Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 5/20 | 0.38 |
| ▸ | RXRB | P28702 | 5/20 | 0.38 |
| ▸ | RXRG | P48443 | 5/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.36 |
| ▸ | FABP3 | P05413 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | F2 | P00734 | 6/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ADH5 | P11766 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6563546 | 0.92 | F10 (0.38) | ITGB3ITGA2BALDH1A1F2NQO2 | |
| SCHEMBL6563913 | 0.76 | CA12 (0.33) | ITGB3ITGA2BF2EGLN1F10 | |
| SCHEMBL7379565 | 0.75 | KLK1 (0.44) | RXRARXRBRXRGALDH1A1F2 | |
| SCHEMBL6563277 | 0.72 | F2 (0.41) | F2EGLN1F10PRSS1 | |
| SCHEMBL6565332 | 0.72 | RXRA (0.51) | RXRARXRBRXRGFABP3ALDH1A1 | |
| SCHEMBL7416681 | 0.71 | F2 (0.60) | F2NQO2F10PRSS1PRSS2 | |
| SCHEMBL6562124 | 0.70 | KLK5 (0.47) | ALDH1A1F2HPGDCYP2C19PRSS1 | |
| SCHEMBL7383225 | 0.69 | KLK1 (0.40) | F2NQO2F10PRSS1PRSS2 | |
| SCHEMBL6563625 | 0.69 | PRSS1 (0.43) | ALDH1A1F2HPGDF10PRSS1 | |
| SCHEMBL7372469 | 0.68 | KLK1 (0.46) | ALDH1A1F2NQO2F10PRSS1 |
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-1140802-B1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES | BOEHRINGER INGELHEIM PHARMA (DE) | 2004-03-17 | — | — | EP | disclosed |
| US-6479524-B1 | TO PROLONG THE THROMBIN TIME | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-11-12 | — | — | US | disclosed |