Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MC4R | P32245 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 2/20 | 0.45 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | PLG | P00747 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | CTSG | P08311 | 1/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | CTRC | Q99895 | 1/20 | 0.44 |
| ▸ | CCR3 | P51677 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9379752 | 0.82 | ACHE (0.50) | ACHESIGMAR1GAAMC4RLMNA | |
| SCHEMBL19261315 | 0.81 | CYP2D6 (0.47) | ACHESIGMAR1GAAMC4RFUCA1 | |
| SCHEMBL5766167 | 0.80 | ACHE (0.60) | ACHESIGMAR1MC4RCCR3 | |
| SCHEMBL9583954 | 0.80 | ABL1 (0.49) | ACHESIGMAR1GAAFUCA1KDM4E | |
| SCHEMBL692536 | 0.80 | ACHE (0.60) | ACHESIGMAR1MC4RCCR3 | |
| SCHEMBL1105751 | 0.80 | ACHE (0.60) | ACHESIGMAR1MC4RCCR3 | |
| SCHEMBL23580062 | 0.79 | TSHR (0.44) | ACHEPOLBALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL28093485 | 0.78 | ACHE (0.58) | ACHESIGMAR1TACR1CCR3 | |
| SCHEMBL2438031 | 0.78 | SIGMAR1 (0.60) | ACHESIGMAR1GAAMC4RLMNA | |
| SCHEMBL30881357 | 0.77 | ACHE (0.45) | ACHESIGMAR1GAAMC4RTACR1 |
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-2005013914-A2 | HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-02-17 | — | — | WO | disclosed |