Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 5/20 | 0.50 |
| ▸ | MAOB | P27338 | 5/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | PRKACA | P17612 | 1/20 | 0.47 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.47 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.47 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.47 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.47 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.47 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.47 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.47 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.47 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.47 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4184334 | 0.89 | CA9 (0.51) | MAOAMAOBHRH3ROCK1ROCK2 | |
| SCHEMBL29594795 | 0.89 | CA9 (0.51) | MAOAMAOBHRH3ROCK1ROCK2 | |
| SCHEMBL2235364 | 0.87 | PDE3B (0.52) | MAOAMAOBKIF11PKMCYP1A2 | |
| SCHEMBL15546435 | 0.86 | MAOA (0.52) | MAOAMAOBKIF11PKMCYP1A2 | |
| SCHEMBL1991232 | 0.80 | MAOA (0.56) | MAOAMAOBHRH3CYP1A2CYP3A4 | |
| SCHEMBL15532807 | 0.80 | CRBN (0.47) | MAOAMAOBHRH3KIF11PDE3B | |
| SCHEMBL426567 | 0.80 | HRH3 (0.57) | MAOAMAOBHRH3 | |
| SCHEMBL23143507 | 0.79 | EIF2AK2 (0.60) | HRH3ROCK1ROCK2PRKACAPRKCD | |
| SCHEMBL29899578 | 0.79 | EIF2AK2 (0.60) | HRH3ROCK1ROCK2PRKACAPRKCD | |
| SCHEMBL29754348 | 0.77 | CA9 (0.54) | MAOAMAOB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017112719-A1 | 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2017-06-29 | — | — | WO | disclosed |
| WO-2013170072-A2 | COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | NEUROP, INC. (US) | 2013-11-14 | — | — | WO | disclosed |
| WO-2013170072-A2 | COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | NEUROP, INC. (US) | 2013-11-14 | — | — | WO | disclosed |