Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.55 |
| ▸ | RAB9A | P51151 | 6/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 8/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL8921057 | 0.82 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL8925380 | 0.82 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL8922290 | 0.79 | ALOX5AP (0.53) | ALOX5 | |
| SCHEMBL8925365 | 0.78 | ALOX5AP (0.53) | ALOX5 | |
| SCHEMBL8927268 | 0.77 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL8894337 | 0.76 | ALOX5 (0.48) | NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL8921522 | 0.76 | ALOX5 (0.48) | NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL6964094 | 0.74 | NPC1 (0.71) | NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1 | |
| 2-(Phenoxymethyl)Benzothiazole SCHEMBL2245843 | 0.72 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1 | |
| SCHEMBL7541252 | 0.70 | NPC1 (0.77) | NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1 |
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-5691351-A | Bis-(Heteroarylmethoxyphenyl)cycloalkyl carboxylates as inhibitors of leukotriene biosynthesis | ABBOTT LABORATORIES (US) | 1997-11-25 | — | — | US | disclosed |