Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.48 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.48 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL109302 | 0.75 | DPP4 (0.50) | LMNATAAR1HIF1AKDM4EALDH1A1 | |
| SCHEMBL9522260 | 0.74 | ADRB1 (0.56) | ESR1ESR2TDP1LMNACYP3A4 | |
| Hydrochloric Acid SCHEMBL10435080 | 0.73 | DPP4 (0.48) | LMNATAAR1HIF1AKDM4EALDH1A1 | |
| SCHEMBL19304127 | 0.73 | ESR1 (0.56) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL24369694 | 0.73 | CYP1A2 (0.50) | TDP1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2032476 | 0.72 | ESR1 (0.62) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL633374 | 0.72 | ESR1 (0.62) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL2037513 | 0.72 | ESR1 (0.62) | ESR1ESR2PDCD1CD274ALOX15 | |
| SCHEMBL24897061 | 0.71 | CYP2A6 (0.43) | CYP3A4CYP2C19TSHRALDH1A1CA12 | |
| SCHEMBL8607150 | 0.71 | ESR1 (0.52) | ESR1ESR2PDCD1CD274ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017156179-A1 | 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF | RAZE THERAPEUTICS, INC. (US) | 2017-09-14 | — | — | WO | disclosed |
| US-5053053-A | PROCESS FOR DYEING KERATINOUS FIBRES WITH A HYDROXYINDOLE IN COMBINATION WITH A QUINONE DERIVATIVE; AND NOVEL 1,4-BENZOQUINONES | L'OREAL (FR) | 1991-10-01 | — | — | US | disclosed |