Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 13/20 | 0.65 |
| ▸ | RAB9A | P51151 | 12/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 10/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.65 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.62 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.62 |
| ▸ | RELA | Q04206 | 1/20 | 0.62 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TOP1 | P11387 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2665320 | 0.91 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL12652275 | 0.84 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13071759 | 0.83 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13071804 | 0.82 | NPC1 (0.73) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13888123 | 0.82 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13888140 | 0.80 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13888121 | 0.80 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL9071518 | 0.78 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13988997 | 0.78 | NPC1 (0.72) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL13988965 | 0.77 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E |
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-7390908-B2 | Such as 2-[3,5-Di(2-chlorobenzyloxy)benzoyl)amino]-thiazole; for treatment of diabetes | ASTRAZENECA AB (SE) | 2008-06-24 | — | — | US | disclosed |