Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | ADH1B | P00325 | 1/20 | 0.39 |
| ▸ | ADH1C | P00326 | 1/20 | 0.39 |
| ▸ | ADH1A | P07327 | 1/20 | 0.39 |
| ▸ | ADH7 | P40394 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| Cyclopropane SCHEMBL1138573 | 0.94 | CYP3A4 (0.42) | CYP3A4MAPTKDM4EIDO1THRB | |
| SCHEMBL25408736 | 0.83 | MEN1 (0.61) | MAPTMEN1KMT2ATDP1SIGMAR1 | |
| SCHEMBL305780 | 0.81 | ADH1B (0.37) | CYP3A4MAPTKDM4EHTTADH1B | |
| SCHEMBL7165865 | 0.81 | CHRM2 (0.42) | MAPTKDM4EIDO1THRBMEN1 | |
| SCHEMBL15135122 | 0.81 | CYP3A4 (0.45) | CYP3A4MAPTKDM4EIDO1THRB | |
| SCHEMBL3273386 | 0.75 | IDO1 (0.54) | CYP3A4MAPTKDM4EIDO1THRB | |
| SCHEMBL3122253 | 0.74 | IDO1 (0.52) | CYP3A4MAPTKDM4EIDO1THRB | |
| SCHEMBL27929636 | 0.74 | DRD4 (0.39) | CYP3A4MAPTKDM4EIDO1THRB | |
| SCHEMBL28806607 | 0.74 | MEN1 (0.39) | CYP3A4MAPTKDM4EIDO1THRB | |
| SCHEMBL26964162 | 0.72 | CYP3A4 (0.45) | CYP3A4MAPTKDM4EIDO1THRB |
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-113508121-A | VOC-free, aqueous and storage-stable N-vinylbenzylaminoalkyl-functional siloxanols and process for their preparation | 赢创运营有限公司 | 2021-10-15 | — | — | CN | disclosed |