Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1147979 | 1.00 | HPRT1 (0.52) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| SCHEMBL30083974 | 1.00 | HPRT1 (0.52) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| Hydrogen Sulfide SCHEMBL28245767 | 0.98 | HPRT1 (0.50) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| SCHEMBL25106 | 0.88 | CYP1A2 (0.52) | ALDH1A1TDP1GABRA1GABRB2CYP1A2 | |
| SCHEMBL30083984 | 0.88 | CYP1A2 (0.52) | ALDH1A1TDP1GABRA1GABRB2CYP1A2 | |
| SCHEMBL29106738 | 0.88 | GABRA1 (0.47) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| Piperidine SCHEMBL28096939 | 0.87 | HPRT1 (0.39) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| Water SCHEMBL11405805 | 0.86 | CYP1A2 (0.50) | ALDH1A1TDP1GABRA1GABRB2CYP1A2 | |
| SCHEMBL249217 | 0.86 | CYP1A2 (0.50) | ALDH1A1TDP1GABRA1GABRB2CYP1A2 | |
| SCHEMBL1617561 | 0.86 | CYP1A2 (0.50) | ALDH1A1TDP1GABRA1GABRB2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111087018-A | Crude titanium tetrachloride vanadium removal composition and vanadium removal method | 中国石油化工股份有限公司 | 2020-05-01 | — | — | CN | claimed |
| 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 | claimed |
| CN-111087018-A | Crude titanium tetrachloride vanadium removal composition and vanadium removal method | 中国石油化工股份有限公司 | 2020-05-01 | — | — | CN | disclosed |