Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5596863 | 0.77 | ALDH1A1 (0.45) | TDP1ERN1MAPTLMNAALDH1A1 | |
| SCHEMBL5596434 | 0.71 | CYP3A4 (0.56) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL2044956 | 0.68 | ALDH1A1 (0.52) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL670489 | 0.68 | CYP3A4 (0.65) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL31218467 | 0.68 | ALDH1A1 (0.52) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL5596246 | 0.68 | ALDH1A1 (0.46) | CYP3A4TDP1GABRA1GABRB2MAPT | |
| SCHEMBL5596379 | 0.68 | CYP3A4 (0.46) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL5596181 | 0.68 | PTPN1 (0.42) | CYP3A4MAPTLMNAALOX15ALDH1A1 | |
| SCHEMBL301709 | 0.67 | RAPGEF4 (0.43) | TSHRTDP1MAPTLMNAALDH1A1 | |
| SCHEMBL5596096 | 0.67 | CYP3A4 (0.50) | CYP3A4TSHRTDP1GABRA1GABRB1 |
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 |