Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL26498162 | 0.75 | ALDH1A1 (0.38) | EPHX2ALDH1A1CYP2C19SGMS2EPHX1 | |
| SCHEMBL969878 | 0.72 | TSHR (0.46) | NPC1RAB9AALDH1A1CYP2C19KMT2A | |
| SCHEMBL2701945 | 0.72 | CTSL (0.53) | CTSLCTSBCTSK | |
| SCHEMBL575927 | 0.71 | CYP1A2 (0.35) | EPHX1 | |
| SCHEMBL1631357 | 0.71 | TSHR (0.44) | RAB9AALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL30384626 | 0.70 | CTSL (0.51) | CTSLCTSBCTSK | |
| SCHEMBL698616 | 0.70 | TSHR (0.48) | NPC1RAB9AALDH1A1CYP2C19KMT2A | |
| SCHEMBL29806030 | 0.69 | TSHR (0.52) | NPC1RAB9AALDH1A1CYP2C19KMT2A | |
| SCHEMBL36370 | 0.69 | TSHR (0.52) | NPC1RAB9AALDH1A1CYP2C19KMT2A | |
| SCHEMBL4677170 | 0.69 | TSHR (0.54) | CTSLCTSBCTSK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1851234-A1 | SUBSTITUTED PROPANE PHOSPHINIC ACID ESTERS | Aventis Pharmaceuticals, Inc. (US) | 2007-11-07 | — | — | EP | disclosed |
| WO-2006086734-A1 | SUBSTITUTED PROPANE PHOSPHINIC ACID ESTERS | AVENTIS PHARMACEUTICALS INC. (US) | 2006-08-17 | — | — | WO | disclosed |