Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 2/20 | 0.44 |
| ▸ | ACACA | Q13085 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.42 |
| ▸ | PRCP | P42785 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | PHGDH | O43175 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5564916 | 0.88 | KMT2A (0.52) | MEN1KMT2ATAAR1ALDH1A1HPGD | |
| SCHEMBL1911373 | 0.88 | KMT2A (0.52) | MEN1KMT2ATAAR1ALDH1A1HPGD | |
| SCHEMBL5565812 | 0.88 | KMT2A (0.52) | MEN1KMT2ATAAR1ALDH1A1HPGD | |
| SCHEMBL8763413 | 0.85 | ADH1B (0.46) | MEN1KMT2ATAAR1ALDH1A1ACACB | |
| SCHEMBL5565853 | 0.76 | SMN1; SMN2 (0.46) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL20811278 | 0.76 | FFAR2 (0.46) | ALDH1A1HPGDPRCP | |
| SCHEMBL11857789 | 0.76 | ESR1 (0.48) | MEN1KMT2ATAAR1ALDH1A1MAPT | |
| SCHEMBL1911630 | 0.76 | HTT (0.46) | MEN1KMT2AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL14186856 | 0.76 | HTT (0.46) | MEN1KMT2AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL5561037 | 0.76 | SMN1; SMN2 (0.46) | ALDH1A1CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3087060-B1 | PYRIMIDONE CARBOXAMIDE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME (US) | 2020-05-13 | — | — | EP | disclosed |