Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.41 |
| ▸ | KDM5A | P29375 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.41 |
| ▸ | KDM2A | Q9Y2K7 | 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 | |
|---|---|---|---|---|
| SCHEMBL8369522 | 0.90 | SIGMAR1 (0.45) | SIGMAR1NPSR1CYP3A4SIRT5CHRM2 | |
| SCHEMBL5468072 | 0.82 | NPSR1 (0.61) | SIGMAR1NPSR1CYP3A4KMT2AIDO1 | |
| SCHEMBL22102023 | 0.82 | NPSR1 (0.61) | SIGMAR1NPSR1CYP3A4KMT2AIDO1 | |
| SCHEMBL4961185 | 0.81 | SIGMAR1 (0.62) | SIGMAR1NPSR1CYP3A4KMT2AIDO1 | |
| SCHEMBL9116804 | 0.79 | CHRM2 (0.41) | NPSR1CYP3A4SIRT5CHRM2CHRM4 | |
| SCHEMBL8364121 | 0.78 | BCHE (0.52) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9118134 | 0.78 | ALOX5 (0.55) | ALOX5KMT2AKDM4AKDM5AKDM4C | |
| SCHEMBL4583683 | 0.78 | POLB (0.65) | SIGMAR1NPSR1KMT2ACTSKIDO1 | |
| Hydrochloric Acid SCHEMBL9117515 | 0.77 | ALOX5 (0.53) | ALOX5KMT2AKDM4AKDM5AKDM4C | |
| SCHEMBL6274138 | 0.77 | NPSR1 (0.56) | SIGMAR1NPSR1CYP3A4KMT2AIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995017888-A1 | PHENYLMETHYL HEXANAMIDES, AND THE USE THEREOF | SMITHKLINE BEECHAM CORPORATION (US) | 1995-07-06 | — | — | WO | disclosed |