Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 2/20 | 0.33 |
| ▸ | BCR | P11274 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5596170 | 0.79 | CYP3A4 (0.43) | CA1CA2CYP3A4PTPN1ALOX5 | |
| SCHEMBL5595928 | 0.77 | ALDH1A1 (0.43) | CA1CA2ALOX5PTGS2PTGS1 | |
| SCHEMBL3047027 | 0.76 | CYP3A4 (0.56) | CA1CA2CYP3A4PTPN1ALOX5 | |
| SCHEMBL6263816 | 0.76 | GABRA1 (0.41) | CA1CA2HPGDALDH1A1KMT2A | |
| SCHEMBL5595890 | 0.75 | CYP3A4 (0.39) | CA1CA2CYP3A4PTPN1ALOX5 | |
| SCHEMBL5596273 | 0.75 | CYP3A4 (0.41) | CA1CA2CYP3A4PTPN1ALOX5 | |
| SCHEMBL5596194 | 0.75 | CYP3A4 (0.39) | CA1CA2CYP3A4PTPN1ALOX5 | |
| SCHEMBL5595988 | 0.72 | CYP3A4 (0.40) | CA1CA2CYP3A4PTPN1ALOX5 | |
| SCHEMBL5596181 | 0.72 | PTPN1 (0.42) | CA1CA2CYP3A4PTPN1ALOX5 | |
| SCHEMBL10954074 | 0.72 | CA2 (0.77) | CA1CA2CYP3A4PTPN1ALOX5 |
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 |