Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAT2A | P31153 | 1/20 | 0.41 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.36 |
| ▸ | NPEPPS | P55786 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.34 |
| ▸ | CASP1 | P29466 | 6/20 | 0.34 |
| ▸ | CASP7 | P55210 | 6/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11060207 | 0.92 | HCAR1 (0.38) | MAT2AHCAR1GRM1NPEPPSALDH1A1 | |
| SCHEMBL11050218 | 0.90 | HCAR1 (0.37) | MAT2AHCAR1GRM1 | |
| SCHEMBL10541416 | 0.88 | NPEPPS (0.36) | MAT2AHCAR1GRM1NPEPPSALDH1A1 | |
| SCHEMBL11058424 | 0.88 | HCAR1 (0.37) | MAT2AHCAR1NPEPPSALDH1A1HPGD | |
| SCHEMBL11351342 | 0.86 | MAT2A (0.35) | MAT2AHCAR1GRM1NPEPPSALDH1A1 | |
| SCHEMBL11351889 | 0.86 | HCAR1 (0.34) | MAT2AHCAR1GRM1NPEPPSALDH1A1 | |
| SCHEMBL11056509 | 0.85 | GRM1 (0.34) | MAT2AHCAR1GRM1NPEPPSALDH1A1 | |
| SCHEMBL11343649 | 0.84 | HCAR1 (0.35) | MAT2AHCAR1NPEPPSALDH1A1HPGD | |
| SCHEMBL11347343 | 0.84 | ANPEP (0.36) | MAT2AHCAR1NPEPPSALDH1A1HPGD | |
| SCHEMBL11056926 | 0.83 | HCAR1 (0.46) | MAT2AHCAR1ALDH1A1CYP1A2CASP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4298608-A | LOCAL ANESTHETICS | WILLIAM H. RORER, INC. (US) | 1981-11-03 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |
| US-4198408-A | 1,4-DISUBSTITUTED-1,2-DIHYDRO-1,3,5-TRIHZIN-2-ONES | WILLIAM H. RORER, INC. (US) | 1980-04-15 | — | — | US | disclosed |