Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9754562 | 0.80 | SLC2A1 (0.34) | AHRALDH1A1HPGDNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL9754511 | 0.79 | SLC2A1 (0.34) | AHRALDH1A1HPGDNPC1MAPT | |
| SCHEMBL9754461 | 0.73 | KDM4E (0.42) | AHRMAOBMAOAFTODYRK1A | |
| SCHEMBL15450173 | 0.68 | CYP1B1 (0.41) | AHRALOX5MAOBMAOAALDH1A1 | |
| SCHEMBL9843460 | 0.68 | GAA (0.38) | MAOABRAFMEN1HPGDKMT2A | |
| SCHEMBL27478441 | 0.68 | NQO1 (0.46) | MAOBMAOABRAFALDH1A1MEN1 | |
| SCHEMBL27290368 | 0.67 | AHR (0.47) | AHRMAOBMAOAFTOMEN1 | |
| SCHEMBL9754531 | 0.67 | GAA (0.40) | AHRALOX5MAOBMAOAALDH1A1 | |
| SCHEMBL13049688 | 0.67 | PLK1 (0.36) | MAOBBRAFALDH1A1MEN1KMT2A | |
| SCHEMBL595885 | 0.66 | ALDH1A1 (0.41) | AHRMAOBMAOABRAFALDH1A1 |
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 |