Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 1/20 | 0.57 |
| ▸ | GABRD | O14764 | 1/20 | 0.57 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.57 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.57 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.57 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.57 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.57 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.57 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.57 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.57 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.57 |
| ▸ | GABRE | P78334 | 1/20 | 0.57 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.57 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.57 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.57 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | AHR | P35869 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9843768 | 0.87 | MAOB (0.52) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL9843493 | 0.85 | CA12 (0.55) | KDM4EMAOBALDH1A1AKR1B1GLA | |
| SCHEMBL9843772 | 0.84 | AKR1B1 (0.47) | KDM4EAHRMAOBALDH1A1AKR1B1 | |
| SCHEMBL9754533 | 0.83 | MAOB (0.48) | KDM4EMAOBALDH1A1AKR1B1GLA | |
| SCHEMBL9843504 | 0.82 | AKR1B1 (0.46) | KDM4EAHRMAOBALDH1A1AKR1B1 | |
| SCHEMBL29502855 | 0.81 | MAPT (0.67) | KDM4EALDH1A1MAPTCASP1CASP7 | |
| SCHEMBL2775850 | 0.81 | MAPT (0.67) | KDM4EALDH1A1MAPTCASP1CASP7 | |
| SCHEMBL9754635 | 0.80 | AKR1B1 (0.44) | KDM4EAHRMAOBALDH1A1AKR1B1 | |
| SCHEMBL9754579 | 0.80 | KDM4E (0.57) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL16271258 | 0.80 | KDM4E (0.70) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 |