Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL127043 | 0.91 | GABRA1 (0.41) | GABRA1GABRB2CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL29364508 | 0.91 | GABRA1 (0.41) | GABRA1GABRB2CYP1A2CYP3A4ALDH1A1 | |
| Propane SCHEMBL28338597 | 0.89 | GABRA1 (0.47) | GABRA1GABRB2CYP3A4SLC6A4SLC6A2 | |
| Benzene SCHEMBL28107745 | 0.89 | GABRA1 (0.40) | GABRA1GABRB2CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL28225610 | 0.89 | GABRA1 (0.40) | GABRA1GABRB2CYP1A2CYP3A4ALDH1A1 | |
| Water SCHEMBL5172983 | 0.89 | GABRA1 (0.40) | GABRA1GABRB2CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL1457269 | 0.87 | GABRA1 (0.50) | GABRA1GABRB2CYP2D6CYP3A4SLC6A4 | |
| Toluene SCHEMBL17981108 | 0.85 | LMNA (0.46) | GABRA1GABRB2CYP2C19CYP3A4SLC6A4 | |
| SCHEMBL28454008 | 0.84 | GABRA1 (0.38) | GABRA1GABRB2CYP3A4ALDH1A1 | |
| SCHEMBL8763269 | 0.84 | GABRA1 (0.38) | GABRA1GABRB2CYP3A4ALDH1A1TSHR |
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-105385362-A | Adhesive composition and connecting structural body | HITACHI CHEMICAL CO LTD | 2016-03-09 | — | — | CN | disclosed |