Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.36 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 3/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9754575 | 0.77 | ALDH1A1 (0.44) | ALDH1A1IMPDH2CYP1A2GLAAHR | |
| SCHEMBL9754555 | 0.77 | GPR3 (0.48) | ALDH1A1CYP1A2GLAALKBH5FTO | |
| SCHEMBL9755646 | 0.76 | GPR3 (0.52) | ALDH1A1IMPDH2CYP1A2ALKBH5FTO | |
| SCHEMBL4126701 | 0.73 | MAOA (0.48) | ALDH1A1GLAKDM4EMAPTLMNA | |
| SCHEMBL17083167 | 0.73 | GLA (0.46) | ALDH1A1CYP1A2GLAAHRKDM4E | |
| SCHEMBL787917 | 0.72 | MAOA (0.44) | ALDH1A1GLAAHRKDM4EMAPT | |
| SCHEMBL16275837 | 0.70 | KDM4E (0.49) | ALDH1A1CYP1A2GLAALKBH5FTO | |
| SCHEMBL21781398 | 0.70 | KDM4E (0.49) | ALDH1A1CYP1A2GLAALKBH5FTO | |
| SCHEMBL18566120 | 0.70 | KDM4E (0.49) | ALDH1A1CYP1A2GLAALKBH5FTO | |
| SCHEMBL13183690 | 0.70 | ALKBH5 (0.50) | ALDH1A1CYP1A2GLAAHRALKBH5 |
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 |