Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | BRD2 | P25440 | 1/20 | 0.42 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.42 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11785524 | 0.94 | ALDH1A1 (0.52) | ALDH1A1KDM4ETSHRCYP2C9CYP2C19 | |
| SCHEMBL1702032 | 0.77 | TSHR (0.55) | ALDH1A1KDM4ETSHRBRD4BRD2 | |
| SCHEMBL532700 | 0.76 | TSHR (0.54) | ALDH1A1KDM4ETSHRSMN1; SMN2BRD4 | |
| SCHEMBL1945200 | 0.76 | TSHR (0.54) | ALDH1A1KDM4ETSHRSMN1; SMN2BRD4 | |
| SCHEMBL23415041 | 0.75 | ALDH1A1 (0.51) | ALDH1A1KDM4ECYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL8019843 | 0.75 | KDM4E (0.45) | ALDH1A1KDM4ETSHRBRD4BRD2 | |
| SCHEMBL5164597 | 0.74 | ALDH1A1 (0.50) | ALDH1A1KDM4ETSHRCYP2C9CYP2C19 | |
| SCHEMBL756979 | 0.74 | MEN1 (0.51) | ALDH1A1KDM4ETSHRCYP2C9CYP2C19 | |
| SCHEMBL9414222 | 0.74 | TSHR (0.52) | ALDH1A1KDM4ETSHRCYP2C19SMN1; SMN2 | |
| SCHEMBL11780921 | 0.74 | ALDH1A1 (0.50) | ALDH1A1KDM4ETSHRCYP2C9CYP2C19 |
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-3981715-A | 2,3,5-Substituted-6-trifluoromethyl-1,3-diazin-4-ones herbicides | AMERICAN CYANAMID COMPANY (US) | 1976-09-21 | — | — | US | disclosed |