Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.62 |
| ▸ | IDO1 | P14902 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | GAA | P10253 | 3/20 | 0.62 |
| ▸ | TTK | P33981 | 2/20 | 0.62 |
| ▸ | ALPL | P05186 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.53 |
| ▸ | MAP2K4 | P45985 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.50 |
| ▸ | FLT1 | P17948 | 1/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1672674 | 0.87 | IDO1 (0.78) | KDM4EIDO1ALDH1A1GAATTK | |
| SCHEMBL8247148 | 0.77 | KDM4E (0.58) | KDM4EIDO1ALDH1A1GAATTK | |
| SCHEMBL855531 | 0.77 | ALDH1A1 (1.00) | KDM4EIDO1ALDH1A1GAATTK | |
| SCHEMBL30768403 | 0.77 | ALDH1A1 (1.00) | KDM4EIDO1ALDH1A1GAATTK | |
| SCHEMBL29053552 | 0.77 | KDM4E (0.53) | KDM4EIDO1ALDH1A1GAATTK | |
| SCHEMBL4796146 | 0.74 | KDM4E (0.66) | KDM4EIDO1ALDH1A1GAATTK | |
| SCHEMBL30272065 | 0.74 | PDGFRB (0.53) | KDM4EIDO1ALDH1A1GAATTK | |
| SCHEMBL17337955 | 0.74 | PDGFRB (0.53) | KDM4EIDO1ALDH1A1GAATTK | |
| SCHEMBL8890429 | 0.74 | ALDH1A1 (0.51) | KDM4EIDO1ALDH1A1GAATTK | |
| SCHEMBL17178615 | 0.73 | ALDH1A1 (0.92) | KDM4EIDO1ALDH1A1GAATTK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2398324-A1 | PYRAZOLO [4,3-c]CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2011-12-28 | — | — | EP | disclosed |
| WO-2010096338-A1 | PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2010-08-26 | — | — | WO | disclosed |