Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 5/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | SNCA | P37840 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28843164 | 0.78 | ESR1 (0.50) | PTGS2ESR1CYP19A1ESR2CES2 | |
| Benzene SCHEMBL28326432 | 0.78 | CES1 (0.53) | PTGS2ESR1KDM4ELMNACES2 | |
| SCHEMBL67982 | 0.78 | CES1 (0.53) | PTGS2ESR1KDM4ELMNACES2 | |
| SCHEMBL28341532 | 0.74 | LMNA (0.52) | PTGS2KDM4ELMNACES2CES1 | |
| SCHEMBL28901985 | 0.74 | CES1 (0.50) | PTGS2ESR1KDM4ELMNACES2 | |
| SCHEMBL28445093 | 0.74 | CES1 (0.50) | PTGS2ESR1KDM4ELMNACES2 | |
| SCHEMBL28643562 | 0.74 | CES1 (0.50) | PTGS2ESR1KDM4ELMNACES2 | |
| SCHEMBL9580190 | 0.74 | CES1 (0.50) | PTGS2ESR1KDM4ELMNACES2 | |
| SCHEMBL29707474 | 0.74 | CES1 (0.50) | PTGS2ESR1KDM4ELMNACES2 | |
| SCHEMBL5498483 | 0.74 | CES1 (0.50) | PTGS2ESR1KDM4ELMNACES2 |
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-106633048-B | A kind of carbene aminated compounds and preparation method thereof | 华南理工大学 | 2019-04-09 | — | — | CN | disclosed |