Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5250773 | 0.76 | TDP1 (0.42) | CYP2D6ALDH1A1NPC1CYP2C19ESR1 | |
| SCHEMBL3110288 | 0.75 | HTR7 (0.46) | ALDH1A1SMN1; SMN2GABRA5HTTKMT2A | |
| SCHEMBL1927333 | 0.75 | GABRA5 (0.45) | ALDH1A1NPC1POLBSMN1; SMN2GABRA5 | |
| SCHEMBL5585467 | 0.75 | HDAC1 (0.39) | CYP2D6ALDH1A1NPC1CYP2C19SMN1; SMN2 | |
| SCHEMBL5173297 | 0.74 | POLB (0.55) | ALDH1A1NPC1CYP2C19ESR1POLB | |
| SCHEMBL5759997 | 0.73 | HTT (0.39) | CYP2D6ALDH1A1ESR1POLBSTAT3 | |
| SCHEMBL6616525 | 0.73 | TDP1 (0.51) | NPC1ESR1SMN1; SMN2GABRA5HTT | |
| SCHEMBL5757480 | 0.73 | HTT (0.40) | ALDH1A1ESR1POLBSTAT3SMN1; SMN2 | |
| SCHEMBL28799362 | 0.72 | NPC1 (0.53) | CYP2D6ALDH1A1NPC1CYP2C19POLB | |
| SCHEMBL10055039 | 0.72 | NPC1 (0.68) | CYP2D6ALDH1A1NPC1CYP2C19POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0819690-B1 | Herbicidal 6-thienyl and 4-thienyl pyrimidines | BASF AG (DE) | 2002-10-09 | — | — | EP | disclosed |
| US-6110871-A | 2-((PHENYL, PYRIDYL OR PYRAZOLYL)(OXY OR THIO)), 6-((SUBSTITUTED)PHENYL)-CYANOPYRIDINES; HERBICIDAL ACTIVITY WITH THE NECESSARY SELECTIVITY AND ENHANCED SOIL DEGRADATION | AMERICAN CYANAMID COMPANY (US) | 2000-08-29 | — | — | US | disclosed |
| US-5972842-A | SUBSTITUTED OR UNSUBSTITUTED 2?-YL THIENYL CONTAINING CYANOPYRIDINES USED AS WEED CONTROLLER | AMERICAN CYANAMID COMPANY (US) | 1999-10-26 | — | — | US | disclosed |
| EP-0820996-A1 | Herbicidal cyanopyridines | American Cyanamid Company (US) | 1998-01-28 | — | — | EP | disclosed |