Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7031501 | 0.84 | SLC22A12 (0.34) | KDM4EALDH1A1CYP2A6HPGDMAPK1 | |
| SCHEMBL1453971 | 0.79 | SLC22A12 (0.32) | KDM4EALDH1A1CYP2A6HPGDCA1 | |
| SCHEMBL1453021 | 0.78 | CA12 (0.33) | KDM4EALDH1A1HPGDCA1CA2 | |
| SCHEMBL3965890 | 0.77 | ALDH1A1 (0.42) | KDM4EALDH1A1CYP2A6TSHRCYP1A2 | |
| SCHEMBL8673527 | 0.76 | CYP2A6 (0.42) | KDM4EALDH1A1CYP2A6TSHRCYP1A2 | |
| SCHEMBL9249191 | 0.76 | ALDH1A1 (0.41) | KDM4EALDH1A1CYP2A6TSHRCYP1A2 | |
| SCHEMBL1453565 | 0.75 | CYP1A2 (0.32) | CYP2A6CYP1A2 | |
| Hydrochloric Acid SCHEMBL6064180 | 0.75 | CYP2A6 (0.41) | KDM4EALDH1A1CYP2A6TSHRCYP1A2 | |
| SCHEMBL7037711 | 0.75 | KDM4E (0.41) | KDM4EALDH1A1CYP2A6TSHRCYP1A2 | |
| Hydrochloric Acid SCHEMBL7734464 | 0.75 | ALDH1A1 (0.39) | KDM4EALDH1A1CYP2A6TSHRCYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6620953-B1 | Complexing dimethylbis(2-methyl-4,5-benzoindenyl)silane with transition metal compounds such as 2,4-di-tert-butylphenoxide, zirconium monochloride, to form polymerization catalysts | BASSELL POLYOLEFINE GMBH (DE) | 2003-09-16 | — | — | US | disclosed |
| EP-1133504-B1 | METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES | BASELL POLYOLEFINE GMBH (DE) | 2003-03-12 | — | — | EP | disclosed |