Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.44 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | GPR3 | P46089 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22924447 | 0.77 | KDM4E (0.51) | AHRGPR3KDM4ENQO2ALDH1A1 | |
| SCHEMBL13564071 | 0.76 | GPR3 (0.71) | ALKBH5FTOHSP90AA1IDO1GPR3 | |
| SCHEMBL9779016 | 0.74 | AHR (0.51) | ALKBH5FTOAHRHSP90AA1IDO1 | |
| SCHEMBL20402131 | 0.74 | ALKBH5 (0.50) | ALKBH5FTOHSP90AA1IDO1GPR3 | |
| SCHEMBL13183686 | 0.73 | ALKBH5 (0.49) | ALKBH5FTOAHRHSP90AA1IDO1 | |
| SCHEMBL3423943 | 0.72 | GPR3 (0.71) | ALKBH5FTOHSP90AA1IDO1GPR3 | |
| SCHEMBL12683511 | 0.72 | CYP2A6 (0.54) | CYP2A6GPR3KDM4EALDH1A1MAPT | |
| SCHEMBL9754538 | 0.71 | ALKBH5 (0.50) | ALKBH5FTOHSP90AA1IDO1GPR3 | |
| SCHEMBL13183677 | 0.71 | ALKBH5 (0.50) | ALKBH5FTOHSP90AA1IDO1GPR3 | |
| SCHEMBL29847503 | 0.70 | CYP2A6 (0.59) | CYP2A6GPR3KDM4EALDH1A1LMNA |
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 |