Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PRNP | P04156 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5596106 | 0.74 | TSHR (0.39) | CYP3A4TSHRALDH1A1MAPTKMT2A | |
| SCHEMBL5596017 | 0.67 | TDP1 (0.36) | TDP1CYP3A4TSHRESR1ESR2 | |
| SCHEMBL5596035 | 0.67 | TSHR (0.44) | TDP1TSHRALDH1A1LMNATP53 | |
| SCHEMBL5596015 | 0.67 | TDP1 (0.36) | TDP1CYP3A4TSHRESR1ESR2 | |
| SCHEMBL648738 | 0.65 | TDP1 (0.45) | TDP1CYP3A4TSHRESR1ESR2 | |
| SCHEMBL1465059 | 0.65 | TDP1 (0.45) | TDP1CYP3A4TSHRESR1ESR2 | |
| Ethylene Glycol SCHEMBL28065173 | 0.65 | TDP1 (0.71) | TDP1CYP3A4TSHRESR1ESR2 | |
| SCHEMBL10882128 | 0.63 | TDP1 (0.43) | TDP1CYP3A4TSHRESR1ESR2 | |
| Alcohol SCHEMBL5271349 | 0.63 | TDP1 (0.67) | TDP1CYP3A4TSHRESR1ESR2 | |
| SCHEMBL16005323 | 0.63 | TDP1 (0.43) | TDP1CYP3A4TSHRESR1ESR2 |
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 |