Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5405317 | 0.74 | SLC6A4 (0.59) | KDM4ESLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL5400233 | 0.71 | SLC6A4 (0.56) | KDM4ESLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL4648603 | 0.71 | SLC6A4 (0.56) | KDM4ESLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL27755189 | 0.71 | HTR2C (0.53) | KDM4ESLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL27344871 | 0.70 | KDM4E (0.52) | KDM4ESLC6A4SLC6A2SLC6A3CYP2A6 | |
| SCHEMBL16615070 | 0.70 | KDM4E (0.47) | KDM4ESLC6A4SLC6A2SLC6A3CYP2A6 | |
| SCHEMBL3673985 | 0.70 | BACE1 (0.54) | KDM4ESLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL28572312 | 0.70 | SLC6A4 (0.50) | KDM4ESLC6A4SLC6A2SLC6A3CYP2D6 | |
| Methyl Alcohol SCHEMBL10694365 | 0.70 | SLC6A4 (0.58) | KDM4ESLC6A4SLC6A2SLC6A3CYP2D6 | |
| Naphthalene SCHEMBL9359039 | 0.70 | BACE1 (0.54) | KDM4ESLC6A4SLC6A2SLC6A3CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112745200-B | Method for selective allylation of simple aromatic hydrocarbon with participation of difluorocyclopropane | 四川大学 | 2021-10-22 | — | — | CN | disclosed |
| CN-112745200-A | Method for selective allylation of simple aromatic hydrocarbon with participation of difluorocyclopropane | 四川大学 | 2021-05-04 | — | — | CN | disclosed |