Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HBB | P68871 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL27729531 | 0.96 | ESR1 (0.43) | ESR1ESR2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL28970846 | 0.95 | ESR1 (0.44) | ESR1ESR2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL14894801 | 0.87 | ESR1 (0.39) | ESR1ESR2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL1868077 | 0.79 | ALDH1A1 (0.33) | ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6 | |
| SCHEMBL18320175 | 0.77 | ALDH1A1 (0.46) | ESR1ESR2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL31543984 | 0.77 | ALDH1A1 (0.46) | ESR1ESR2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL3202035 | 0.77 | ESR1 (0.44) | ESR1ESR2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL30484243 | 0.77 | ESR1 (0.44) | ESR1ESR2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL49889 | 0.77 | ESR1 (0.44) | ESR1ESR2ALDH1A1HSD17B10HIF1A | |
| SCHEMBL11287037 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104936932-A | Polymeric precursors for producing graphene nanoribbons and suitable oligophenylene monomers for preparing them | BASF SE | 2015-09-23 | — | — | CN | disclosed |