Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 SCHEMBL28285338 | 0.90 | OPRM1 (0.40) | CTSDSLC6A2SLC6A4SLC6A3OPRM1 | |
| SCHEMBL3882464 | 0.84 | CTSL (0.39) | SLC6A2SLC6A4SLC6A3OPRM1CYP2D6 | |
| SCHEMBL13739875 | 0.84 | CTSL (0.39) | SLC6A2SLC6A4SLC6A3OPRM1CYP2D6 | |
| SCHEMBL1509098 | 0.83 | NPC1 (0.41) | OPRM1NPSR1NPC1RAB9ACA12 | |
| SCHEMBL13739607 | 0.81 | L3MBTL1 (0.39) | SLC6A2SLC6A4SLC6A3OPRM1CYP2D6 | |
| SCHEMBL5592055 | 0.78 | NPSR1 (0.41) | CTSDSLC6A2SLC6A4SLC6A3OPRM1 | |
| SCHEMBL5610864 | 0.77 | OPRM1 (0.34) | SLC6A2SLC6A4SLC6A3OPRM1CYP2D6 | |
| SCHEMBL19470000 | 0.75 | OPRM1 (0.44) | CTSDSLC6A2SLC6A4OPRM1CYP2D6 | |
| SCHEMBL18342209 | 0.71 | NPSR1 (0.40) | NPSR1NPC1RAB9ACA12CA9 | |
| SCHEMBL28488803 | 0.70 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3OPRM1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007117482-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | claimed |
| WO-2007117482-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | disclosed |