Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 5/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
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 SCHEMBL8007034 | 0.99 | AOC3 (0.41) | AOC3SCN9AALDH1A1BRD4PPARG | |
| Hydrochloric Acid SCHEMBL8104379 | 0.99 | AOC3 (0.41) | AOC3SCN9AALDH1A1BRD4PPARG | |
| Water SCHEMBL8095247 | 0.92 | SCN9A (0.40) | SCN9AALDH1A1BRD4PPARGKDR | |
| SCHEMBL8005829 | 0.86 | PPARG (0.37) | SCN9APPARG | |
| Hydrochloric Acid SCHEMBL8102087 | 0.85 | PPARG (0.36) | AOC3SCN9APPARG | |
| SCHEMBL7995599 | 0.85 | ALDH1A1 (0.41) | SCN9AALDH1A1BRD4PPARG | |
| Hydrochloric Acid SCHEMBL8101760 | 0.84 | ALDH1A1 (0.41) | SCN9AALDH1A1BRD4PPARG | |
| Hydrochloric Acid SCHEMBL8007030 | 0.84 | ALDH1A1 (0.41) | SCN9AALDH1A1BRD4PPARG | |
| SCHEMBL8103669 | 0.83 | CA12 (0.44) | AOC3ALDH1A1 | |
| SCHEMBL8004732 | 0.75 | ALOX15 (0.62) | SCN9AALDH1A1BRD4PPARG |
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 |
|---|---|---|---|---|---|---|---|
| US-6022899-A | EFFECTIVE INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER | HOECHST AKTIENGESELLSCHAFT (DE) | 2000-02-08 | — | — | US | disclosed |
| US-5753710-A | INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-05-19 | — | — | US | disclosed |