Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.54 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MC5R | P33032 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9609703 | 0.98 | HPRT1 (0.56) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL9609733 | 0.89 | ALDH1A1 (0.56) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL10055238 | 0.89 | ALDH1A1 (0.38) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL11711988 | 0.89 | AKR1B1 (0.64) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL27537674 | 0.84 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL29707927 | 0.82 | CYP2A6 (0.60) | ALDH1A1CYP2A6TSHRCYP1A2MC5R | |
| SCHEMBL44621 | 0.82 | CYP2A6 (0.60) | ALDH1A1CYP2A6TSHRCYP1A2MC5R | |
| SCHEMBL29349685 | 0.82 | CYP2A6 (0.60) | ALDH1A1CYP2A6TSHRCYP1A2MC5R | |
| SCHEMBL21644744 | 0.80 | CYP2A6 (0.58) | ALDH1A1CYP2A6TSHRCYP1A2MC5R | |
| SCHEMBL6259103 | 0.80 | CYP2A6 (0.58) | ALDH1A1CYP2A6TSHRCYP1A2MC5R |
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 |
|---|---|---|---|---|---|---|---|
| US-20150299437-A1 | PREPARATION OF RUBBER REINFORCED WITH GRAPHENE AND CARBON NANOTUBES AND FUNCTIONALIZED ELASTOMERS AND TIRE WITH COMPONENT | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2015-10-22 | — | — | US | disclosed |