Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5595999 | 0.80 | TDP1 (0.37) | CYP2C19CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL5596560 | 0.77 | CHRM4 (0.38) | CYP2C19CYP1A2CYP2C9ALDH1A1KDM4E | |
| SCHEMBL6951035 | 0.74 | KCNN4 (0.44) | CYP2C19CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL2672155 | 0.72 | CYP2C19 (0.42) | CYP2C19CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL913404 | 0.72 | KIF11 (0.46) | CYP2C19CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL561220 | 0.72 | CHRM2 (0.46) | CYP2C19CYP1A2CYP2C9TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL11790447 | 0.72 | CYP1A2 (0.54) | CYP2C19CYP1A2CYP2C9HIF1ATAAR1 | |
| SCHEMBL1670181 | 0.70 | SMN1; SMN2 (0.48) | CYP2C19CYP1A2CYP2C9ALDH1A1HIF1A | |
| SCHEMBL5012067 | 0.70 | TSHR (0.52) | CYP2C19CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL7943831 | 0.70 | CYP2C19 (0.58) | CYP2C19CYP1A2CYP2C9TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7279537-B2 | Transition metal complexes and polymerization catalysts | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-10-09 | — | — | US | disclosed |
| US-20060229195-A1 | Transition metal complexes and polymerization catalysts | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2006-10-12 | — | — | US | disclosed |
| EP-1557423-A1 | TRANSITION METAL COMPLEXES AND POLYMERIZATION CATALYSTS | Sumitomo Chemical Company, Limited (JP) | 2005-07-27 | — | — | EP | disclosed |