Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 18/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14794198 | 0.92 | CHRM4 (0.65) | CHRM4CYP2C9KDM4ENPC1ALDH1A1 | |
| SCHEMBL16273201 | 0.89 | CHRM4 (0.61) | CHRM4CYP2C9KDM4ENPC1ALDH1A1 | |
| SCHEMBL14794207 | 0.87 | CHRM4 (0.57) | CHRM4CYP2C9KDM4ENPC1ALDH1A1 | |
| SCHEMBL14794655 | 0.87 | CHRM4 (0.52) | CHRM4CYP2C9KDM4ENPC1ALDH1A1 | |
| SCHEMBL14794224 | 0.82 | CHRM4 (0.48) | CHRM4CYP2C9KDM4ENPC1ALDH1A1 | |
| SCHEMBL14794644 | 0.80 | CHRM4 (0.68) | CHRM4CYP2C9KDM4EALDH1A1HPGD | |
| SCHEMBL16273189 | 0.79 | CHRM4 (0.45) | CHRM4CYP2C9KDM4EALDH1A1KMT2A | |
| SCHEMBL14794579 | 0.79 | CHRM4 (0.48) | CHRM4CYP2C9 | |
| SCHEMBL16274406 | 0.77 | CHRM4 (0.59) | CHRM4CYP2C9KDM4ENPC1ALDH1A1 | |
| SCHEMBL14794610 | 0.76 | CHRM4 (0.43) | CHRM4CYP2C9KDM4EKMT2A |
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-2013040534-A1 | SUBSTITUTED 1H-PYRAZOLO[3',4',4,5]THIENO[2,3-B]PYRIDIN-3-AMINE ANALOGS AS POSITIVE ALLOSTERIC MODULATIORS OF THE MUSCARINIC ACETYCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2013-03-21 | — | — | WO | disclosed |