Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9754643 | 0.94 | AKR1B1 (0.50) | MAOBMAPK1AKR1B1NPC1CASP3 | |
| SCHEMBL9754533 | 0.85 | MAOB (0.48) | MAOBMAPK1AKR1B1NPC1CASP3 | |
| SCHEMBL9754579 | 0.83 | KDM4E (0.57) | MAOBMAPK1AKR1B1NPC1CASP3 | |
| SCHEMBL1068378 | 0.83 | MAOB (0.49) | MAOBMAPK1AKR1B1ALDH1A1MEN1 | |
| SCHEMBL9754462 | 0.82 | MAOB (0.54) | MAOBMAPK1AKR1B1ALDH1A1MEN1 | |
| SCHEMBL24470969 | 0.79 | PTGS2 (0.62) | MAPK1ALDH1A1MEN1CYP1A2CYP2D6 | |
| SCHEMBL17182639 | 0.79 | HIF1A (0.54) | ALDH1A1HPGDKDM4EAHR | |
| SCHEMBL29630289 | 0.79 | PTGS2 (0.62) | MAPK1ALDH1A1MEN1CYP1A2CYP2D6 | |
| SCHEMBL9754548 | 0.79 | AKR1B1 (0.52) | MAOBMAPK1AKR1B1ALDH1A1MEN1 | |
| SCHEMBL2553024 | 0.78 | ERN1 (0.58) | MAOBMAPK1AKR1B1ALDH1A1MEN1 |
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 |