Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | SPHK1 | Q9NYA1 | 6/20 | 0.41 |
| ▸ | SPHK2 | Q9NRA0 | 6/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1854235 | 1.00 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL1854677 | 0.84 | SMN1; SMN2 (0.56) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL1853900 | 0.84 | SMN1; SMN2 (0.56) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL6718276 | 0.81 | SPHK1 (0.43) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL1856445 | 0.80 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL5047736 | 0.79 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL5045817 | 0.79 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL1856191 | 0.78 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL1853380 | 0.78 | KDM4E (0.49) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL1853286 | 0.78 | SMN1; SMN2 (0.42) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1470102-B1 | SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) | MERCK SERONO SA (CH) | 2011-05-25 | — | — | EP | disclosed |