Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | MMP13 | P45452 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.47 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8179659 | 0.89 | ALDH1A1 (0.54) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL5576143 | 0.88 | ALDH1A1 (0.55) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL6505071 | 0.88 | ALDH1A1 (0.55) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL4597864 | 0.88 | ALDH1A1 (0.55) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL5576009 | 0.83 | ALDH1A1 (0.52) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL5576034 | 0.82 | ALDH1A1 (0.52) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL8181931 | 0.82 | ALDH1A1 (0.56) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL23212046 | 0.81 | MMP13 (0.53) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL5576460 | 0.81 | GPR119 (0.54) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL5575926 | 0.81 | STS (0.57) | ALDH1A1NPC1MAPTMAPK1HTT |
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-5998440-A | Azetidine, pyrrolidine and piperidine derivatives | MERCK SHARPE & DOHME LTD. (GB) | 1999-12-07 | — | — | US | disclosed |