Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 6/20 | 0.41 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.34 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL11554787 | 0.77 | ALDH1A1 (0.45) | SMN1; SMN2MAPTGAANOTUM | |
| SCHEMBL11177647 | 0.75 | ALDH1A1 (0.37) | SMN1; SMN2MAPTGAANOTUM | |
| SCHEMBL13806578 | 0.69 | TRPA1 (0.65) | TRPA1 | |
| SCHEMBL5194953 | 0.69 | TRPA1 (0.65) | TRPA1MAPTRAB9AGAACA12 | |
| SCHEMBL31586332 | 0.67 | TRPA1 (0.50) | TRPA1MAPTGAAMAOAMAOB | |
| SCHEMBL283346 | 0.67 | TRPA1 (0.50) | TRPA1MAPTGAAMAOAMAOB | |
| SCHEMBL5413199 | 0.66 | PTGS2 (0.43) | TRPA1MAPTGAAPTGS2CA12 | |
| SCHEMBL5604697 | 0.66 | CA1 (0.43) | TRPA1MAPTGAAMAOAMAOB | |
| SCHEMBL19078585 | 0.65 | PKM (0.43) | SMN1; SMN2MAPTRAB9AGAACA12 | |
| SCHEMBL27975067 | 0.65 | ALDH1A1 (0.60) | P2RX4SMN1; SMN2MAPTRAB9AGAA |
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-3987176-A | COMPOSITION AND USE OF 3,4-DIHYDROPYRIDONES AS VASODILATORS AND ANTIHYPERTENSIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-10-19 | — | — | US | disclosed |
| US-3981882-A | HYPOTENSIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-09-21 | — | — | US | disclosed |
| US-3951990-A | CORONARY AGENTS, HYPOTENSIVE | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-20 | — | — | US | disclosed |
| US-3951992-A | CORONARY, HYPOTENSIVE | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-20 | — | — | US | disclosed |
| US-3951991-A | CORONARY AGENTS, HYPOTENSIVE | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-20 | — | — | US | disclosed |