Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 2/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TACR1 | P25103 | 2/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | NMBR | P28336 | 1/20 | 0.45 |
| ▸ | MME | P08473 | 1/20 | 0.45 |
| ▸ | ECE1 | P42892 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9001867 | 1.00 | TYR (0.49) | TYRITGB3ITGA2BALDH1A1ALOX15 | |
| SCHEMBL8889717 | 0.88 | TYR (0.55) | TYRITGB3ITGA2BALDH1A1ALOX15 | |
| SCHEMBL9825831 | 0.88 | TYR (0.55) | TYRITGB3ITGA2BALDH1A1ALOX15 | |
| SCHEMBL9638332 | 0.81 | ITGB3 (0.44) | TYRITGB3ITGA2BALDH1A1ALOX15 | |
| SCHEMBL30825625 | 0.81 | ALDH1A1 (0.58) | TYRALDH1A1ALOX15TACR1CTSL | |
| SCHEMBL8674043 | 0.81 | ALDH1A1 (0.58) | TYRALDH1A1ALOX15TACR1CTSL | |
| SCHEMBL10976664 | 0.81 | CASP1 (0.63) | ITGB3ITGA2BTACR1MME | |
| SCHEMBL7444765 | 0.81 | CASP1 (0.63) | ITGB3ITGA2BTACR1MME | |
| SCHEMBL29523440 | 0.81 | CASP1 (0.63) | ITGB3ITGA2BTACR1MME | |
| SCHEMBL29523231 | 0.81 | CASP1 (0.63) | ITGB3ITGA2BTACR1MME |
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-0731784-A1 | ARYL HALIDE SUBSTITUTED METALLIC COMPLEXES, PHARMACEUTICALS CONTAINING THESE COMPLEXES, THEIR USE FOR DIAGNOSTIC PURPOSES, AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-09-18 | — | — | EP | disclosed |
| WO-1995015306-A1 | ARYL HALIDE SUBSTITUTED METALLIC COMPLEXES, PHARMACEUTICALS CONTAINING THESE COMPLEXES, THEIR USE FOR DIAGNOSTIC PURPOSES, AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS | SCHERING AKTIENGESELLSCHAFT (DE) | 1995-06-08 | — | — | WO | disclosed |