Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | AGXT | P21549 | 2/20 | 0.34 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.33 |
| ▸ | HTR3B | O95264 | 3/20 | 0.33 |
| ▸ | HTR3A | P46098 | 3/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL5596469 | 1.00 | TSHR (0.36) | TSHRCYP3A4IDO1AGXTPNMT | |
| SCHEMBL5596102 | 0.79 | TSHR (0.40) | TSHRPNMTHTR3EHTR3BHTR3A | |
| SCHEMBL5596017 | 0.77 | TDP1 (0.36) | TSHRCYP3A4 | |
| SCHEMBL5596015 | 0.77 | TDP1 (0.36) | TSHRCYP3A4 | |
| SCHEMBL5596106 | 0.74 | TSHR (0.39) | TSHRCYP3A4PNMTTAAR1HTR3E | |
| SCHEMBL5613760 | 0.71 | TSHR (0.43) | TSHRCYP3A4IDO1AGXTPNMT | |
| SCHEMBL5596893 | 0.68 | TSHR (0.40) | TSHRCYP3A4IDO1AGXTPNMT | |
| SCHEMBL24737367 | 0.68 | CYP1A2 (0.56) | CYP3A4CYP2C9CYP1A2ALDH1A1CHRM5 | |
| SCHEMBL81748 | 0.68 | CYP1A2 (0.56) | CYP3A4CYP2C9CYP1A2ALDH1A1CHRM5 | |
| SCHEMBL29879797 | 0.68 | CYP1A2 (0.56) | CYP3A4CYP2C9CYP1A2ALDH1A1CHRM5 |
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 |