Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9868902 | 0.85 | SCN9A (0.46) | ALDH1A1 | |
| SCHEMBL9796276 | 0.81 | ALDH1A1 (0.51) | ALDH1A1HTR6NTRK1PTPN1CA2 | |
| SCHEMBL6050597 | 0.79 | ATM (0.48) | ALDH1A1 | |
| SCHEMBL11400290 | 0.79 | THRB (0.46) | HTR6NTRK1 | |
| SCHEMBL11391444 | 0.78 | TP53 (0.40) | ALDH1A1NPC1CA2 | |
| SCHEMBL9796476 | 0.78 | ALDH1A1 (0.57) | ALDH1A1NPC1PTPN1 | |
| SCHEMBL11062704 | 0.77 | ALDH1A1 (0.54) | ALDH1A1HTR6 | |
| Hydrochloric Acid SCHEMBL11069933 | 0.76 | ALDH1A1 (0.52) | ALDH1A1HTR6PTPN1 | |
| SCHEMBL11392010 | 0.76 | SCN9A (0.44) | — | |
| SCHEMBL11399692 | 0.75 | ALDH1A1 (0.55) | ALDH1A1HTR6NTRK1PTPN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4302460-A | 4-Quinolinones having antihypertensive activity | THE BOOTS COMPANY LIMITED (GB) | 1981-11-24 | — | — | US | disclosed |