Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL4016207 | 0.68 | PAX8 (0.39) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL5391723 | 0.66 | ALDH1A1 (0.52) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| Phenanthrene SCHEMBL28339999 | 0.65 | CYP2A6 (0.92) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL7946562 | 0.64 | ALDH1A1 (0.44) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| Phenanthrene SCHEMBL27741923 | 0.64 | ALDH1A1 (0.75) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL1822675 | 0.63 | KDM4E (0.43) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| Phenanthrene SCHEMBL30932938 | 0.62 | CYP2A6 (1.00) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| Phenanthrene SCHEMBL29358486 | 0.62 | CYP2A6 (1.00) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| Phenanthrene SCHEMBL29477074 | 0.62 | CYP2A6 (1.00) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| Phenanthrene SCHEMBL7643 | 0.62 | CYP2A6 (1.00) | CYP2A6TSHRALDH1A1HSD17B10TDP1 |
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-6262197-B1 | AS POLYMERIZATION CATALYST IN OLEFIN POLYMERIZATION | TARGOR GMBH (DE) | 2001-07-17 | — | — | US | claimed |
| US-6262197-B1 | AS POLYMERIZATION CATALYST IN OLEFIN POLYMERIZATION | TARGOR GMBH (DE) | 2001-07-17 | — | — | US | disclosed |
| EP-0739897-A1 | Polynuclear metallocene compound, process for preparing it and its use as catalyst | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-10-30 | — | — | EP | disclosed |