Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 12/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.46 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.46 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.46 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.46 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.46 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | MET | P08581 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | MERTK | Q12866 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19028086 | 0.83 | GRM4 (0.54) | GRM4NPC1RAB9APKMSMN1; SMN2 | |
| SCHEMBL19028106 | 0.78 | GAA (0.38) | NPC1RAB9ATP53KDM4EGRM1 | |
| SCHEMBL30213310 | 0.75 | CRBN (0.76) | — | |
| SCHEMBL7231436 | 0.73 | KDM4E (0.64) | NPC1RAB9APKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL19028105 | 0.72 | GRM5 (0.42) | GRM4MERTKGRM1 | |
| SCHEMBL20873115 | 0.72 | NPC1 (0.59) | GRM4NPC1RAB9APKMSMN1; SMN2 | |
| SCHEMBL31482311 | 0.72 | ACE2 (0.64) | GRM4NPC1RAB9APKMSMN1; SMN2 | |
| SCHEMBL5823896 | 0.71 | HRH3 (0.54) | GRM4NPC1RAB9APKMSMN1; SMN2 | |
| SCHEMBL13719196 | 0.71 | KDM1A (0.45) | SMN1; SMN2 | |
| SCHEMBL13719179 | 0.71 | KDM1A (0.45) | SMN1; SMN2 |
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-2017107089-A1 | 3- (1H-PYRAZOL-4-YL) PYRIDINEALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2017-06-29 | — | — | WO | claimed |