Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL9499327 | 0.81 | CA12 (0.55) | NPSR1ESR1ESR2ALDH1A1CYP3A4 | |
| Phenol SCHEMBL11351307 | 0.81 | CA12 (0.55) | NPSR1ESR1ESR2ALDH1A1CYP3A4 | |
| Tert-Butanol SCHEMBL27710302 | 0.80 | ALDH1A1 (0.41) | ESR1ESR2ALDH1A1CYP3A4TSHR | |
| Alcohol SCHEMBL28753898 | 0.80 | TSHR (0.39) | ESR1ESR2ALDH1A1TSHRTDP1 | |
| Alcohol SCHEMBL27614762 | 0.80 | TSHR (0.39) | ESR1ESR2ALDH1A1TSHRTDP1 | |
| SCHEMBL20263709 | 0.80 | TSHR (0.43) | ALDH1A1CYP3A4TSHRALOX15TDP1 | |
| Methyl Alcohol SCHEMBL28288466 | 0.77 | CA2 (0.44) | ESR1ESR2ALDH1A1CYP3A4TSHR | |
| Benzene SCHEMBL27471159 | 0.77 | TSHR (0.36) | NPSR1ALDH1A1CYP3A4TSHRCYP2C19 | |
| Propanol SCHEMBL27524079 | 0.76 | PCSK9 (0.39) | ESR1ESR2ALDH1A1TSHRTDP1 | |
| Phenol SCHEMBL9494533 | 0.76 | CA12 (0.48) | NPSR1ESR1ESR2ALDH1A1CYP3A4 |
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-20230242830-A1 | USE OF OILS COMPRISING NON-NEUROTOXIC ANTI-WEAR ADDITIVES | NYCO (FR) | 2023-08-03 | — | — | US | disclosed |
| CN-101161658-A | Method for producing powdery bisphenol A bis (diphenylphosphate) | HENGQIAO STOCK CO LTD (CN) | 2008-04-16 | — | — | CN | disclosed |