Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8591060 | 0.82 | HTR1A (0.49) | ALDH1A1CYP1A2KDM4EADRA2CADRA2B | |
| SCHEMBL173300 | 0.82 | GABRA1 (0.56) | GABRA1GABRB2ALDH1A1AKR1B1CYP1A2 | |
| SCHEMBL1945874 | 0.82 | ALDH1A1 (0.56) | ALDH1A1HPGDCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL29809738 | 0.82 | ALDH1A1 (0.56) | ALDH1A1HPGDCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL29763626 | 0.82 | GABRA1 (0.56) | GABRA1GABRB2ALDH1A1AKR1B1CYP1A2 | |
| SCHEMBL10528834 | 0.79 | GABRA1 (0.54) | GABRA1GABRB2ALDH1A1AKR1B1CYP1A2 | |
| Benzene SCHEMBL28085432 | 0.79 | GABRA1 (0.54) | GABRA1GABRB2ALDH1A1AKR1B1KDM4E | |
| SCHEMBL19437729 | 0.79 | GABRA1 (0.54) | GABRA1GABRB2ALDH1A1AKR1B1CYP1A2 | |
| Phosphine SCHEMBL28908229 | 0.79 | GABRA1 (0.54) | GABRA1GABRB2ALDH1A1AKR1B1CYP1A2 | |
| SCHEMBL11765775 | 0.79 | GABRA1 (0.54) | GABRA1GABRB2ALDH1A1AKR1B1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003042148-A2 | PROCESS FOR PRODUCING BISBENZIL COMPOUNDS | SHOWA DENKO K. K. (JP) | 2003-05-22 | — | — | WO | disclosed |
| US-4186270-A | CHLOROMETHYLATION, CONVERSION TO NITRILE, METHYLATION OR ETHYLATION, HYDROLYSIS | THE DOW CHEMICAL COMPANY (US) | 1980-01-29 | — | — | US | disclosed |