Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 7/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.35 |
| ▸ | CASP1 | P29466 | 6/20 | 0.35 |
| ▸ | CASP7 | P55210 | 6/20 | 0.35 |
| ▸ | GLA | P06280 | 5/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCND2 | P30279 | 1/20 | 0.35 |
| ▸ | CCND3 | P30281 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11053291 | 0.89 | HCAR1 (0.35) | HCAR1MEN1KMT2AEGFRFGFR1 | |
| SCHEMBL11057004 | 0.85 | LCK (0.43) | ALDH1A1CYP1A2HSD17B10CYP2D6TSHR | |
| SCHEMBL11054993 | 0.84 | KCNH2 (0.38) | USP2ALDH1A1CYP1A2HSD17B10CASP1 | |
| SCHEMBL11050195 | 0.84 | HCAR1 (0.39) | HCAR1EGFRFGFR1CHRNA7 | |
| SCHEMBL11052901 | 0.83 | HCAR1 (0.43) | HCAR1USP2ALDH1A1CYP1A2HSD17B10 | |
| Hydrochloric Acid SCHEMBL11343420 | 0.82 | HCAR1 (0.42) | HCAR1USP2ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL11058209 | 0.81 | HCAR1 (0.38) | HCAR1ALDH1A1KMT2AMAPK1GAA | |
| SCHEMBL11061839 | 0.80 | HCAR1 (0.37) | HCAR1CYP1A2KMT2ACDK4CCND1 | |
| SCHEMBL11053099 | 0.80 | HCAR1 (0.37) | HCAR1ALDH1A1MEN1KMT2ACDK4 | |
| SCHEMBL11056523 | 0.79 | MEN1 (0.33) | HCAR1CYP1A2CYP2D6MEN1KMT2A |
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 3 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-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 |