Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10599472 | 0.87 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9AL3MBTL1HRH3 | |
| SCHEMBL2329783 | 0.86 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9AL3MBTL1HRH3 | |
| SCHEMBL5168465 | 0.83 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9AL3MBTL1HRH3 | |
| SCHEMBL11196940 | 0.79 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9AL3MBTL1HRH3 | |
| SCHEMBL10684156 | 0.79 | ALDH1A1 (0.55) | ALDH1A1NPC1RAB9AL3MBTL1HRH3 | |
| SCHEMBL2161163 | 0.79 | ALDH1A1 (0.55) | ALDH1A1NPC1RAB9AL3MBTL1HRH3 | |
| SCHEMBL7058481 | 0.78 | MAOA (0.50) | ALDH1A1NPC1RAB9AL3MBTL1HRH3 | |
| SCHEMBL10471246 | 0.76 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9AL3MBTL1HRH3 | |
| SCHEMBL16301153 | 0.76 | NPC1 (0.47) | ALDH1A1NPC1RAB9AL3MBTL1HRH3 | |
| SCHEMBL25934909 | 0.76 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9AL3MBTL1HRH3 |
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-0034784-B1 | 3,4,5-TRIHYDROXYPIPERIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND IN ANIMAL FEEDING | BAYER AG (DE) | 1984-07-25 | — | — | EP | disclosed |
| US-4407809-A | N-phenoxy(or thio)hydrocarbon 3,4,5-trihydroxypiperidine derivatives, their use in medicine and in animal nutrition | BAYER AKTIENGESELLSCHAFT (DE) | 1983-10-04 | — | — | US | disclosed |