Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8471223 | 0.88 | ALDH1A1 (0.44) | NPC1ALDH1A1MAPTMAPK1HTT | |
| SCHEMBL5410711 | 0.87 | ATM (0.50) | NPC1ALDH1A1MAPTMAPK1HTT | |
| SCHEMBL31023808 | 0.84 | MGLL (0.55) | NPC1ALDH1A1MAPTMAPK1HTT | |
| SCHEMBL8473076 | 0.84 | ALDH1A1 (0.43) | NPC1ALDH1A1MAPTMAPK1HTT | |
| SCHEMBL8473073 | 0.84 | TACR1 (0.43) | NPC1ALDH1A1MAPTMAPK1HTT | |
| SCHEMBL4879724 | 0.84 | CYP3A4 (0.52) | NPC1ALDH1A1MAPTMAPK1HTT | |
| SCHEMBL3837657 | 0.83 | HTT (0.51) | NPC1ALDH1A1MAPTMAPK1HTT | |
| SCHEMBL3837654 | 0.83 | HTT (0.51) | NPC1ALDH1A1MAPTMAPK1HTT | |
| SCHEMBL660699 | 0.83 | HTT (0.51) | NPC1ALDH1A1MAPTMAPK1HTT | |
| SCHEMBL16903887 | 0.82 | CYP3A4 (0.42) | NPC1ALDH1A1MAPTMAPK1HTT |
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-5925638-A | Substituted 1-indolylpropyl-4-benzylpiperazine derivatives | MERCK SHARP & DOHME LTD. (GB) | 1999-07-20 | — | — | US | disclosed |