Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | AHR | P35869 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | GABRP | O00591 | 1/20 | 0.44 |
| ▸ | GABRD | O14764 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.44 |
| ▸ | GABRE | P78334 | 1/20 | 0.44 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.44 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9754605 | 0.86 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAOBAHRAKR1B1 | |
| SCHEMBL9754579 | 0.83 | KDM4E (0.57) | ALDH1A1KDM4EMAOBAHRAKR1B1 | |
| SCHEMBL9754600 | 0.82 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAOBAHRAKR1B1 | |
| SCHEMBL10955268 | 0.82 | MAOB (0.51) | ALDH1A1KDM4EMAOBAHRAKR1B1 | |
| SCHEMBL9754643 | 0.77 | AKR1B1 (0.50) | ALDH1A1KDM4EMAOBAHRAKR1B1 | |
| SCHEMBL9754635 | 0.76 | AKR1B1 (0.44) | ALDH1A1KDM4EMAOBAHRAKR1B1 | |
| SCHEMBL9754603 | 0.76 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAOBAHRAKR1B1 | |
| SCHEMBL3359780 | 0.75 | MAOB (0.80) | ALDH1A1KDM4EMAOBAHRAKR1B1 | |
| SCHEMBL30285083 | 0.75 | MAOB (0.80) | ALDH1A1KDM4EMAOBAHRAKR1B1 | |
| SCHEMBL9754580 | 0.75 | MAOB (0.52) | ALDH1A1KDM4EMAOBAHRAKR1B1 |
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-1991014688-A1 | HETERO POLYCYCLIC BIOCIDAL COMPOUNDS AND THEIR USE IN MEDECINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-10-03 | — | — | WO | disclosed |
| EP-0447703-A1 | Hetero polycyclic biocidal compounds, their synthesis and intermediates therefor,formulations containing them and their use in medicine | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-25 | — | — | EP | disclosed |