Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19384339 | 0.73 | GABRA1 (0.60) | KDM4EPOLBGABRA1GABRB2GABRB1 | |
| SCHEMBL3716680 | 0.72 | KDM4E (0.81) | KDM4EPOLBMAPTNPC1LMNA | |
| SCHEMBL3805224 | 0.72 | POLB (0.40) | KDM4EPOLBGABRA1MAPTNPC1 | |
| SCHEMBL963438 | 0.72 | KDM4E (0.63) | KDM4EPOLBMAPTNPC1LMNA | |
| SCHEMBL492203 | 0.71 | KDM4E (0.66) | KDM4EPOLBGABRA1GABRB2GABRB1 | |
| Hydrochloric Acid SCHEMBL963437 | 0.71 | KDM4E (0.61) | KDM4EPOLBMAPTNPC1LMNA | |
| SCHEMBL693042 | 0.70 | POLB (0.40) | KDM4EPOLBMAPTNPC1LMNA | |
| SCHEMBL1579253 | 0.69 | KDM4E (0.52) | KDM4EPOLBGABRA1GABRA3NTRK1 | |
| SCHEMBL20248058 | 0.69 | KDM4E (0.66) | KDM4EPOLBMAPTNPC1LMNA | |
| SCHEMBL4605496 | 0.69 | KDM4E (0.58) | KDM4EPOLBGABRA1GABRB2GABRB1 |
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 |