Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.43 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28611553 | 0.86 | FPR2 (0.45) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL28522436 | 0.80 | ESR1 (0.47) | ESR1ESR2FOLH1ALDH1A1CYP3A4 | |
| SCHEMBL28511882 | 0.80 | ESR1 (0.47) | ESR1ESR2FOLH1ALDH1A1CYP3A4 | |
| SCHEMBL28003688 | 0.78 | GRIA4 (0.32) | ACHE | |
| SCHEMBL27665318 | 0.75 | BLM (0.56) | ESR1ESR2PDCD1CD274MIF | |
| SCHEMBL15854207 | 0.75 | ESR1 (0.55) | ESR1ESR2PDCD1CD274MIF | |
| SCHEMBL8373596 | 0.75 | ESR1 (0.55) | ESR1ESR2PDCD1CD274MIF | |
| SCHEMBL29138231 | 0.75 | ALDH1A1 (0.44) | ALDH1A1HSD17B10MAPTSMN1; SMN2 | |
| SCHEMBL24977985 | 0.74 | SMN1; SMN2 (0.44) | ALDH1A1CYP3A4CYP2C9MAPTSMN1; SMN2 | |
| SCHEMBL27520806 | 0.73 | SLC7A5 (0.44) | ESR1ESR2FOLH1BLMOPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112368276-A | Amino-pyrimidinone derivatives, process for their preparation and pharmaceutical compositions containing them | 法国施维雅药厂 | 2021-02-12 | — | — | CN | disclosed |