Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 4/20 | 0.52 |
| ▸ | CCND1 | P24385 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 4/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | TYMS | P04818 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18283132 | 0.88 | PDE2A (0.51) | CDK4CCND1PDE2A | |
| SCHEMBL22422954 | 0.86 | CDK4 (0.50) | CDK4CCND1KMT2ACCNE2CCNE1 | |
| SCHEMBL22423073 | 0.85 | PDE2A (0.52) | CDK4CCND1KMT2ACCNE2CCNE1 | |
| SCHEMBL22423006 | 0.79 | CDK4 (0.55) | CDK4CCND1HPGDCCNE2CCNE1 | |
| SCHEMBL20185314 | 0.75 | PDE2A (0.49) | PDE2A | |
| SCHEMBL20138431 | 0.75 | PDE2A (0.50) | CDK4CCND1PDE2ATYMS | |
| SCHEMBL22422993 | 0.74 | CDK4 (0.45) | CDK4CCND1KMT2APDE2A | |
| SCHEMBL22475495 | 0.73 | PDE2A (0.68) | PDE2A | |
| SCHEMBL20156698 | 0.71 | CDK4 (0.43) | CDK4CCND1KMT2APDE2A | |
| SCHEMBL22423012 | 0.71 | PDE2A (0.49) | CDK4CCND1PDE2A |
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-2016191935-A1 | 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-12-08 | — | — | WO | disclosed |