Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 1/20 | 0.52 |
| ▸ | TDO2 | P48775 | 1/20 | 0.52 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4440336 | 0.87 | CYP1A2 (1.00) | CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL29792811 | 0.84 | CYP1A2 (0.77) | CYP1A2CYP2C9CYP2C19SMN1; SMN2GAA | |
| SCHEMBL23088434 | 0.84 | CYP1A2 (0.77) | CYP1A2CYP2C9CYP2C19SMN1; SMN2GAA | |
| SCHEMBL13881965 | 0.83 | CYP2C9 (0.75) | CYP1A2CYP2C9CYP2C19SMN1; SMN2GAA | |
| SCHEMBL7871733 | 0.83 | CYP1A2 (0.75) | CYP1A2CYP2C9CYP2C19SMN1; SMN2GAA | |
| SCHEMBL6422179 | 0.82 | CYP1A2 (0.73) | CYP1A2CYP2C9CYP2C19SMN1; SMN2GAA | |
| SCHEMBL20646201 | 0.81 | CYP1A2 (0.77) | CYP1A2CYP2C9CYP2C19SMN1; SMN2GAA | |
| SCHEMBL7829805 | 0.81 | CYP1A2 (0.71) | CYP1A2CYP2C9CYP2C19SMN1; SMN2GAA | |
| SCHEMBL7284429 | 0.80 | TUBB4A (0.59) | CYP1A2CYP2C9CYP2C19SMN1; SMN2GAA | |
| SCHEMBL5726240 | 0.80 | SMN1; SMN2 (0.63) | SMN1; SMN2GAAMEN1NPC1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0269914-B1 | COMPOSITION AND PROCESS FOR THE OXIDATIVE DYEING OF HAIR ON THE BASIS OF 3-(2',2',2'-TRIFLUORETHYL)AMINOPHENOL DERIVATIVES, AND 3-(2',2',2'-TRIFLUORETHYL)AMINOPHENOL DERIVATIVES | Wella Aktiengesellschaft (DE) | 1991-06-12 | — | — | EP | disclosed |
| WO-1988004166-A1 | HAIR DYEING OXIDISING AGENT AND PROCESS WITH 3-(2',2',2'-TRIFLUOROETHYL)AMINO-PHENOL DERIVATES AND NEW 3-(2',2',2'-TRIFLUOROETHYL)AMINO-PHENOL DERIVATES | WELLA AKTIENGESELLSCHAFT (DE) | 1988-06-16 | — | — | WO | disclosed |