Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.41 |
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.39 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 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 | |
|---|---|---|---|---|
| SCHEMBL9779016 | 0.81 | AHR (0.51) | AHRALDH1A1IMPDH2GPR3ALKBH5 | |
| SCHEMBL11614295 | 0.72 | GPR3 (0.44) | ALDH1A1GPR3ALKBH5FTOHSP90AA1 | |
| SCHEMBL9754611 | 0.70 | ALDH1A1 (0.44) | AHRALDH1A1IMPDH2GPR3ALKBH5 | |
| SCHEMBL2553123 | 0.70 | GPR3 (0.50) | ALDH1A1GPR3HSP90AA1IDO1KDM4E | |
| SCHEMBL5657399 | 0.70 | ALKBH5 (0.56) | AHRALDH1A1IMPDH2GPR3ALKBH5 | |
| SCHEMBL8503438 | 0.69 | GPR3 (0.58) | ALDH1A1GPR3ALKBH5FTOHSP90AA1 | |
| SCHEMBL9754538 | 0.69 | ALKBH5 (0.50) | ALDH1A1GPR3ALKBH5FTOHSP90AA1 | |
| Hydrochloric Acid SCHEMBL14672734 | 0.69 | GPR3 (0.48) | ALDH1A1GPR3HSP90AA1IDO1KDM4E | |
| Bromide SCHEMBL16858710 | 0.69 | GPR3 (0.48) | ALDH1A1GPR3HSP90AA1IDO1KDM4E | |
| SCHEMBL9754530 | 0.68 | SLC2A1 (0.48) | ALDH1A1GPR3ALKBH5FTOKDM4E |
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 |