Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 3/20 | 0.35 |
| ▸ | BACE1 | P56817 | 4/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.32 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17771735 | 0.82 | SIGMAR1 (0.42) | AKT1BACE1HTR2CHTR2BSIGMAR1 | |
| SCHEMBL17452502 | 0.80 | AKT1 (0.46) | AKT1CYP1A2CYP3A4CYP2D6SIGMAR1 | |
| SCHEMBL12847640 | 0.78 | HSD17B3 (0.37) | AKT1HTR2CHTR2BCYP1A2CYP3A4 | |
| SCHEMBL12790810 | 0.78 | AKT1 (0.33) | AKT1BACE1HTR2CHTR2BHTR2A | |
| SCHEMBL20242250 | 0.76 | ALK (0.32) | BACE1SIGMAR1SLC18A3 | |
| SCHEMBL22938493 | 0.76 | RARA (0.38) | BACE1HTR2CHTR2BCYP1A2CYP3A4 | |
| SCHEMBL12084831 | 0.76 | NOTUM (0.58) | AKT1GAAL3MBTL1 | |
| SCHEMBL1822246 | 0.74 | SLC18A3 (0.42) | AKT1BACE1HTR2CHTR2BCYP1A2 | |
| SCHEMBL24245042 | 0.72 | PIK3CA (0.42) | BACE1HTR2CHTR2BCYP1A2CYP3A4 | |
| SCHEMBL10311204 | 0.72 | ALDH1A1 (0.37) | AKT1CYP3A4HTR7KDM1A |
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-2018106646-A1 | AMINOTRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-06-14 | — | — | WO | disclosed |