Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | HBB | P68871 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL27557165 | 0.96 | CYP3A4 (0.55) | ALDH1A1CYP3A4HSD17B10GSTP1ESR1 | |
| SCHEMBL31302866 | 0.95 | CYP3A4 (0.53) | ALDH1A1CYP3A4HSD17B10GSTP1ESR1 | |
| SCHEMBL30127816 | 0.95 | CYP3A4 (0.53) | ALDH1A1CYP3A4HSD17B10GSTP1ESR1 | |
| SCHEMBL24079323 | 0.95 | CYP3A4 (0.53) | ALDH1A1CYP3A4HSD17B10GSTP1ESR1 | |
| SCHEMBL30422833 | 0.95 | ALDH1A1 (0.57) | ALDH1A1CYP3A4HSD17B10GSTP1ESR1 | |
| SCHEMBL7040121 | 0.95 | ALDH1A1 (0.57) | ALDH1A1CYP3A4HSD17B10GSTP1ESR1 | |
| SCHEMBL31183073 | 0.93 | ALDH1A1 (0.55) | ALDH1A1CYP3A4HSD17B10GSTP1ALOX15 | |
| SCHEMBL24296053 | 0.93 | ALDH1A1 (0.55) | ALDH1A1CYP3A4HSD17B10GSTP1ALOX15 | |
| SCHEMBL25486686 | 0.93 | ALDH1A1 (0.55) | ALDH1A1CYP3A4HSD17B10GSTP1ALOX15 | |
| SCHEMBL28633665 | 0.87 | CYP3A4 (0.56) | ALDH1A1CYP3A4HSD17B10GSTP1ESR1 |
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-11196004-B2 | High-molecular-weight compound having substituted triarylamine skeleton | HODOGAYA CHEMICAL CO., LTD. (JP) | 2021-12-07 | — | — | US | disclosed |