Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.37 |
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7303492 | 0.98 | BACE1 (0.38) | BACE1POLBSMN1; SMN2NPC1RAB9A | |
| SCHEMBL2069272 | 0.83 | BACE1 (0.47) | BACE1POLBSMN1; SMN2NPC1RAB9A | |
| SCHEMBL2069185 | 0.83 | BACE1 (0.47) | BACE1POLBSMN1; SMN2NPC1RAB9A | |
| SCHEMBL7312268 | 0.80 | RAB9A (0.37) | BACE1POLBSMN1; SMN2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL7304640 | 0.79 | SMN1; SMN2 (0.36) | BACE1POLBSMN1; SMN2NPC1RAB9A | |
| SCHEMBL7306003 | 0.75 | ALDH1A1 (0.52) | SMN1; SMN2NPC1RAB9AALDH1A1MAPK1 | |
| SCHEMBL7299332 | 0.74 | KMT2A (0.44) | SMN1; SMN2NPC1RAB9AALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL7299709 | 0.74 | ALDH1A1 (0.50) | SMN1; SMN2NPC1RAB9AALDH1A1MAPK1 | |
| SCHEMBL1837763 | 0.72 | ALDH1A1 (0.38) | NPC1RAB9AALDH1A1CA2LMNA | |
| SCHEMBL1835846 | 0.72 | ALDH1A1 (0.38) | NPC1RAB9AALDH1A1CA2LMNA |
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-0520336-A2 | Aldehyde derivatives and their use as calpain inhibitors | FUJIREBIO Inc. (JP) | 1992-12-30 | — | — | EP | disclosed |