Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | PTGES | O14684 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7080931 | 0.90 | NPC1 (0.44) | NPC1JAK2RAB9APAX8PTGES | |
| SCHEMBL9423197 | 0.85 | ESR1 (0.44) | NPC1JAK2RAB9APAX8ALOX5 | |
| SCHEMBL7086451 | 0.80 | ALDH1A1 (0.42) | ESR1CHRM2CHRM1CHRM3ALDH1A1 | |
| SCHEMBL9452048 | 0.80 | ALDH1A1 (0.39) | NPC1JAK2RAB9APAX8ESR1 | |
| SCHEMBL9452055 | 0.78 | ALDH1A1 (0.47) | NPC1JAK2RAB9APAX8PTGES | |
| SCHEMBL9452046 | 0.78 | ALDH1A1 (0.47) | NPC1JAK2RAB9APAX8PTGES | |
| SCHEMBL7085482 | 0.76 | ALDH1A1 (0.41) | NPC1ESR1CHRM2CHRM1CHRM3 | |
| SCHEMBL7088353 | 0.75 | — | — | |
| SCHEMBL7082124 | 0.72 | — | — | |
| Valeric Acid SCHEMBL28335645 | 0.69 | CHRNB2 (0.47) | NPC1RAB9AALDH1A1 |
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-0592439-B1 | AMINOSULFONYL CARBAMATES | WARNER LAMBERT CO (US) | 2003-07-30 | — | — | EP | claimed |