Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30780909 | 0.85 | CYP1A2 (0.53) | CYP1A2CYP2C19NPSR1MAPTNPC1 | |
| SCHEMBL31085132 | 0.81 | MAPT (0.45) | CYP2C19MAPTNPC1RAB9AKDM4E | |
| SCHEMBL16684842 | 0.78 | PRKCQ (0.42) | MAPTNPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL2249683 | 0.76 | CYP1A2 (0.69) | CYP1A2CYP2C19NPSR1MAPTNPC1 | |
| SCHEMBL27914184 | 0.75 | CYP1A2 (0.50) | CYP1A2CYP2C19NPSR1MAPTNPC1 | |
| SCHEMBL9749284 | 0.74 | SCN9A (0.43) | — | |
| SCHEMBL6647295 | 0.74 | KDM1A (0.48) | KMT2A | |
| SCHEMBL8411387 | 0.74 | CYP1A2 (0.56) | CYP1A2CYP2C19NPSR1MAPTNPC1 | |
| SCHEMBL31254037 | 0.73 | ALDH1A1 (0.49) | MAPTKDM4EALDH1A1 | |
| SCHEMBL4974003 | 0.73 | ALDH1A1 (0.49) | MAPTKDM4EALDH1A1 |
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-1974212-A1 | COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH | Vertex Pharmaceuticals Incorporated (US) | 2008-10-01 | — | — | EP | disclosed |
| WO-2007075946-A1 | COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-07-05 | — | — | WO | disclosed |