Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9820846 | 0.82 | HRH3 (0.47) | NPC1HRH3HSD17B10SIGMAR1 | |
| SCHEMBL9821040 | 0.76 | FFAR1 (0.55) | ALDH1A1CYP2C19 | |
| SCHEMBL9821161 | 0.76 | ALDH1A1 (0.42) | NPC1HRH3SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL10684339 | 0.71 | HRH3 (0.39) | NPC1HRH3HSD17B10SMN1; SMN2ALDH1A1 | |
| SCHEMBL10683557 | 0.71 | HRH3 (0.39) | NPC1HRH3HSD17B10SMN1; SMN2ALDH1A1 | |
| SCHEMBL10872018 | 0.70 | DRD2 (0.38) | — | |
| SCHEMBL10684334 | 0.70 | SMN1; SMN2 (0.38) | NPC1HRH3HSD17B10SMN1; SMN2ALDH1A1 | |
| SCHEMBL10683685 | 0.70 | SMN1; SMN2 (0.38) | NPC1HRH3HSD17B10SMN1; SMN2ALDH1A1 | |
| SCHEMBL9820889 | 0.69 | MAPT (0.44) | SMN1; SMN2ALDH1A1CYP2C19 | |
| SCHEMBL10682262 | 0.68 | ALDH1A1 (0.42) | NPC1HRH3HSD17B10SMN1; SMN2ALDH1A1 |
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-0188887-B1 | TERTIARY AMINE COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-05-02 | — | — | EP | disclosed |
| EP-0188887-A1 | Tertiary amine compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-07-30 | — | — | EP | disclosed |