Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.52 |
| ▸ | HTT | P42858 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8950876 | 0.82 | NPC1 (0.53) | NPC1HTTMAPTTSHRLMNA | |
| SCHEMBL8950841 | 0.81 | NPC1 (0.52) | NPC1HTTMAPTTSHRLMNA | |
| SCHEMBL9164150 | 0.80 | EPHX2 (0.52) | NPC1MAPTTSHRNLRP3KMT2A | |
| SCHEMBL8950777 | 0.76 | NPC1 (0.55) | NPC1HTTMAPTTSHRLMNA | |
| SCHEMBL9169249 | 0.75 | USP2 (0.50) | NPC1MAPTALDH1A1KMT2ARAB9A | |
| SCHEMBL15443343 | 0.73 | ALDH1A1 (0.45) | NPC1HTTMAPTTSHRLMNA | |
| SCHEMBL15691175 | 0.73 | NPC1 (0.61) | NPC1HTTMAPTTSHRLMNA | |
| SCHEMBL11048619 | 0.72 | MEN1 (0.76) | NPC1HTTMAPTTSHRLMNA | |
| SCHEMBL21568080 | 0.72 | NPC1 (0.67) | NPC1HTTMAPTTSHRLMNA | |
| SCHEMBL4741253 | 0.72 | MEN1 (0.76) | NPC1HTTMAPTTSHRLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0519427-B1 | N-substituted-3-iodopropiolamide, production and use thereof | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-04-26 | — | — | EP | disclosed |
| EP-0552418-A1 | N-substituted-3-iodopropiolamide, production and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-07-28 | — | — | EP | disclosed |
| EP-0519427-A2 | N-substituted-3-iodopropiolamide, production and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-12-23 | — | — | EP | disclosed |