Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28704077 | 0.77 | IDO1 (0.40) | CYP2A6ESR1ESR2 | |
| SCHEMBL28678690 | 0.77 | IDO1 (0.41) | ESR1ESR2 | |
| SCHEMBL8408252 | 0.77 | MEN1 (0.36) | ESR1ESR2 | |
| SCHEMBL77245 | 0.76 | DPP4 (0.36) | HTR2ACYP1A2 | |
| SCHEMBL28865706 | 0.75 | PYCR1 (0.36) | PYCR1HTR2ACYP1A2 | |
| SCHEMBL28865707 | 0.75 | PYCR1 (0.36) | PYCR1HTR2ACYP1A2 | |
| SCHEMBL9834505 | 0.74 | CA1 (0.46) | CYP1A2 | |
| SCHEMBL28699231 | 0.74 | CYP19A1 (0.40) | CYP2A6 | |
| SCHEMBL28684586 | 0.72 | PDE2A (0.41) | PYCR1 | |
| SCHEMBL23244675 | 0.70 | PYCR1 (0.40) | PYCR1CYP2A6HTR2ACYP1A2ESR1 |
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-109336829-B | Aryl formamide compound containing 1,2, 3-triazole structure and application thereof | 沈阳药科大学 | 2022-03-01 | — | — | CN | disclosed |