Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.34 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 6/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | XDH | P47989 | 1/20 | 0.30 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27865641 | 0.77 | ALDH1A1 (0.38) | NOS2BCAT2ESR1IDO1ESR2 | |
| SCHEMBL19334091 | 0.74 | NOS3 (0.44) | NOS3NOS1NOS2SORT1ESR1 | |
| SCHEMBL8015584 | 0.73 | NOS3 (0.47) | NOS3NOS1NOS2SORT1ESR1 | |
| SCHEMBL15822876 | 0.68 | DAO (0.40) | NOS3NOS1NOS2SORT1ESR1 | |
| SCHEMBL14347636 | 0.65 | — | — | |
| SCHEMBL29317119 | 0.63 | NOS3 (0.40) | NOS3NOS1NOS2SORT1ESR1 | |
| SCHEMBL24117299 | 0.62 | MAPK1 (0.39) | KDM4EALDH1A1LMNA | |
| SCHEMBL31466186 | 0.61 | — | — | |
| SCHEMBL18858540 | 0.61 | NOS3 (0.46) | NOS3NOS1NOS2ESR1ESR2 | |
| SCHEMBL18858531 | 0.61 | NOS3 (0.46) | NOS3NOS1NOS2ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019000237-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2019-01-03 | — | — | WO | claimed |
| WO-2019000237-A1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2019-01-03 | — | — | WO | disclosed |