Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.65 |
| ▸ | RAB9A | P51151 | 4/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | MAPT | P10636 | 5/20 | 0.61 |
| ▸ | TP53 | P04637 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | CASP1 | P29466 | 1/20 | 0.61 |
| ▸ | CASP7 | P55210 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | GFER | P55789 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2064358 | 0.93 | NPC1 (0.71) | NPC1RAB9AALDH1A1MAPTTP53 | |
| SCHEMBL12799147 | 0.93 | NPC1 (0.71) | NPC1RAB9AALDH1A1MAPTTP53 | |
| Hydrochloric Acid SCHEMBL2159983 | 0.91 | NPC1 (0.69) | NPC1RAB9AALDH1A1MAPTTP53 | |
| SCHEMBL1821338 | 0.91 | ALDH1A1 (0.70) | NPC1RAB9AALDH1A1MAPTTP53 | |
| Hydrochloric Acid SCHEMBL22031645 | 0.89 | MAPT (0.68) | NPC1RAB9AALDH1A1MAPTTP53 | |
| SCHEMBL31013493 | 0.89 | ALDH1A1 (0.62) | NPC1RAB9AALDH1A1MAPTTP53 | |
| SCHEMBL16404482 | 0.86 | MAPT (0.64) | NPC1RAB9AALDH1A1MAPTTP53 | |
| SCHEMBL11548897 | 0.86 | ALDH1A1 (0.58) | NPC1RAB9AALDH1A1MAPTTP53 | |
| SCHEMBL10979023 | 0.82 | ALDH1A1 (0.52) | NPC1RAB9AALDH1A1MAPTTP53 | |
| SCHEMBL31403228 | 0.82 | ALDH1A1 (0.56) | NPC1RAB9AALDH1A1MAPTTP53 |
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-1664006-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005026137-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-03-24 | — | — | WO | disclosed |