Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HHAT | Q5VTY9 | 3/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | SPR | P35270 | 3/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6969064 | 0.85 | NPY5R (0.34) | HRH4SPRDRD1 | |
| Hydrochloric Acid SCHEMBL6957536 | 0.83 | PRCP (0.36) | — | |
| SCHEMBL7688194 | 0.83 | KCNH3 (0.39) | OPRM1 | |
| Hydrochloric Acid SCHEMBL6965931 | 0.83 | HRH4 (0.35) | HRH4CYP2D6OPRM1 | |
| Hydrochloric Acid SCHEMBL6962293 | 0.82 | HRH4 (0.44) | HRH4ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL6966669 | 0.82 | KCNH3 (0.38) | OPRM1 | |
| SCHEMBL6995590 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL6990113 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL6996524 | 0.81 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL6962278 | 0.81 | PLK1 (0.42) | IDH1 |
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-1015444-B1 | PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | YUHAN CORP LTD (KR) | 2003-05-28 | — | — | EP | disclosed |
| US-6352993-B1 | ANTIULCER AGENTS | YUHAN CORPORATION (KR) | 2002-03-05 | — | — | US | disclosed |