Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC18A2 | Q05940 | 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 SCHEMBL9523922 | 0.99 | TSHR (0.33) | TSHRNPSR1OPRM1OPRK1ROCK2 | |
| SCHEMBL9525650 | 0.92 | OPRM1 (0.34) | TSHRNPSR1OPRM1OPRK1ROCK2 | |
| Hydrochloric Acid SCHEMBL9524987 | 0.92 | OPRM1 (0.34) | TSHRNPSR1OPRM1OPRK1ROCK2 | |
| Hydrochloric Acid SCHEMBL9523744 | 0.92 | OPRM1 (0.34) | TSHRNPSR1OPRM1OPRK1ROCK2 | |
| Hydrochloric Acid SCHEMBL9525305 | 0.91 | TSHR (0.33) | TSHRNPSR1OPRM1OPRK1ROCK2 | |
| Hydrochloric Acid SCHEMBL9525481 | 0.88 | SLC18A2 (0.31) | TSHRNPSR1SLC18A2 | |
| SCHEMBL9524781 | 0.85 | NPC1 (0.38) | TSHRNPSR1OPRM1ROCK2SLC6A2 | |
| Hydrochloric Acid SCHEMBL9528597 | 0.84 | TSHR (0.39) | TSHRNPSR1OPRM1OPRK1ROCK2 | |
| Hydrochloric Acid SCHEMBL9525523 | 0.83 | THRA (0.36) | TSHRNPSR1OPRM1OPRK1ROCK2 | |
| Hydrochloric Acid SCHEMBL9525127 | 0.82 | TSHR (0.31) | TSHRNPSR1OPRM1OPRK1SLC18A2 |
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-0301751-B1 | PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1993-03-10 | — | — | EP | claimed |
| EP-0369810-A2 | PAF antagonists as anti-hyperendothelinemia agents | Takeda Chemical Industries, Ltd. (JP) | 1990-05-23 | — | — | EP | claimed |