Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ATIC | P31939 | 1/20 | 0.50 |
| ▸ | CASP6 | P55212 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MPL | P40238 | 4/20 | 0.46 |
| ▸ | NSD2 | O96028 | 3/20 | 0.46 |
| ▸ | CTRC | Q99895 | 2/20 | 0.46 |
| ▸ | DUSP3 | P51452 | 2/20 | 0.46 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.46 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | NT5E | P21589 | 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 | |
|---|---|---|---|---|
| SCHEMBL1145407 | 1.00 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10 | |
| SCHEMBL29421128 | 1.00 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10 | |
| SCHEMBL28030504 | 0.98 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10 | |
| SCHEMBL27609745 | 0.98 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10 | |
| Ammonia Solution, Strong SCHEMBL27845809 | 0.98 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10 | |
| SCHEMBL27788769 | 0.98 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10 | |
| Potassium SCHEMBL9556360 | 0.98 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10 | |
| SCHEMBL27625969 | 0.98 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10 | |
| SCHEMBL27085691 | 0.98 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10 | |
| SCHEMBL25940533 | 0.87 | ALDH1A1 (0.45) | ALDH1A1CYP2C9CYP1A2CYP2C19HSD17B10 |
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-0820284-A1 | BIOLOGICALLY ACTIVE UREIDO DERIVATIVES USEFUL IN THE TREATMENT OF MULTIPLE SCLEROSIS | PHARMACIA & UPJOHN S.p.A. (IT) | 1998-01-28 | — | — | EP | disclosed |
| WO-1997028796-A1 | BIOLOGICALLY ACTIVE UREIDO DERIVATIVES USEFUL IN THE TREATMENT OF MULTIPLE SCLEROSIS | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-08-14 | — | — | WO | disclosed |