Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 1/20 | 0.41 |
| ▸ | TTK | P33981 | 1/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | CKS1B | P61024 | 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 | |
|---|---|---|---|---|
| SCHEMBL18483167 | 0.85 | MAPK14 (0.45) | KITTTKGPR119GBA1GABRG2 | |
| SCHEMBL18437189 | 0.84 | KIT (0.41) | KITTTKGPR119GBA1GABRG2 | |
| SCHEMBL18485085 | 0.83 | GRIA1 (0.39) | GABRG2GABRB3GABRA5GABRA1GABRA2 | |
| SCHEMBL18482579 | 0.83 | GPR119 (0.41) | KITTTKGPR119GBA1GABRG2 | |
| SCHEMBL18486978 | 0.82 | GPR119 (0.37) | GPR119GABRG2GABRB3GABRA5GABRA1 | |
| SCHEMBL18478250 | 0.80 | GBA1 (0.38) | GPR119GBA1GABRG2GABRB3GABRA5 | |
| SCHEMBL18480324 | 0.80 | MAPK13 (0.38) | GABRG2GABRB3GABRA5GABRA1GABRA2 | |
| SCHEMBL29773843 | 0.79 | GBA1 (0.44) | KITTTKGPR119GBA1GABRG2 | |
| SCHEMBL27905858 | 0.77 | GBA1 (0.44) | KITTTKGPR119GBA1GABRG2 | |
| SCHEMBL18487992 | 0.74 | NR1H2 (0.38) | GPR119GABRG2GABRB3GABRA5HTT |
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-2017023984-A1 | 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF | SAMUMED, LLC. (US) | 2017-02-09 | — | — | WO | disclosed |