Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 7/20 | 0.48 |
| ▸ | RAB9A | P51151 | 6/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | PDE6D | O43924 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 SCHEMBL2077175 | 0.99 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9AHTTTDP1 | |
| SCHEMBL2076862 | 0.95 | KDR (0.47) | ALDH1A1NPC1RAB9AHTTTDP1 | |
| SCHEMBL2078831 | 0.94 | NPC1 (0.45) | ALDH1A1NPC1RAB9AHTTTDP1 | |
| SCHEMBL2077184 | 0.90 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ATDP1NPSR1 | |
| SCHEMBL2078375 | 0.90 | ALDH1A1 (0.56) | ALDH1A1NPC1RAB9AHTTTDP1 | |
| Water SCHEMBL2077116 | 0.89 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ATDP1NPSR1 | |
| Water SCHEMBL2077118 | 0.89 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ATDP1NPSR1 | |
| SCHEMBL2075725 | 0.86 | KDR (0.47) | ALDH1A1NPC1RAB9ATDP1NPSR1 | |
| SCHEMBL2077519 | 0.86 | KDR (0.48) | ALDH1A1NPC1RAB9ATDP1NPSR1 | |
| SCHEMBL2077493 | 0.86 | KDR (0.50) | ALDH1A1NPC1RAB9AHTTTDP1 |
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-1699454-B1 | PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS | SANOFI AVENTIS (FR) | 2009-08-05 | — | — | EP | claimed |