Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Butylamine SCHEMBL28290685 | 0.94 | CYP3A4 (0.46) | CYP3A4TDP1ESR1ESR2MAOA | |
| Propylamine SCHEMBL28032958 | 0.89 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2MAOA | |
| Pentane SCHEMBL15971721 | 0.86 | CYP3A4 (0.63) | CYP3A4TDP1ESR1ESR2TSHR | |
| Hexane SCHEMBL22129187 | 0.86 | CYP3A4 (0.63) | CYP3A4TDP1ESR1ESR2DNM1 | |
| SCHEMBL28263824 | 0.86 | CYP3A4 (0.63) | CYP3A4TDP1ESR1ESR2MAOA | |
| Decane SCHEMBL27371611 | 0.84 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2DNM1 | |
| Tetradecane SCHEMBL27451965 | 0.84 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2DNM1 | |
| Pentadecane SCHEMBL27707032 | 0.84 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2DNM1 | |
| Hexane SCHEMBL7758441 | 0.84 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2DNM1 | |
| Dodecane SCHEMBL27373256 | 0.84 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2DNM1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113828340-B | Palladium-based hydrogenation catalyst and preparation method and application thereof | 中国石油化工股份有限公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-113828340-A | Palladium-based hydrogenation catalyst, and preparation method and application thereof | 中国石油化工股份有限公司 | 2021-12-24 | — | — | CN | disclosed |
| CN-105829386-B | Epoxy resin composition, cured product thereof, and semiconductor device | 日本化药株式会社 | 2019-05-03 | — | — | CN | disclosed |
| CN-105899566-B | Epoxy resin composition, composition epoxy resin, its solidfied material and semiconductor device | 日本化药株式会社 | 2018-10-26 | — | — | CN | disclosed |
| CN-104395371-B | Composition epoxy resin and its solidfied material and hardening resin composition | 日本化药株式会社 | 2017-03-15 | — | — | CN | disclosed |
| CN-105899566-A | Epoxy resin mixture, epoxy resin composition, cured product thereof, and semiconductor device | 日本化药株式会社 | 2016-08-24 | — | — | CN | disclosed |