Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1068378 | 0.86 | MAOB (0.49) | MAOBAKR1B1MAPK1KDM4EALDH1A1 | |
| SCHEMBL9754580 | 0.85 | MAOB (0.52) | MAOBAKR1B1MAPK1NPC1CASP3 | |
| SCHEMBL9843768 | 0.85 | MAOB (0.52) | MAOBAKR1B1NPC1RAB9AKDM4E | |
| SCHEMBL9843493 | 0.83 | CA12 (0.55) | MAOBAKR1B1KDM4EALDH1A1GLA | |
| SCHEMBL9754567 | 0.83 | GABRP (0.57) | MAOBAKR1B1MAPK1NPC1CASP3 | |
| SCHEMBL9754643 | 0.82 | AKR1B1 (0.50) | MAOBAKR1B1MAPK1NPC1CASP3 | |
| SCHEMBL9754635 | 0.79 | AKR1B1 (0.44) | MAOBAKR1B1NPC1RAB9AKDM4E | |
| SCHEMBL9754502 | 0.76 | CYP2A6 (0.36) | NPC1CASP3RAB9ASENP8SENP7 | |
| SCHEMBL9843772 | 0.75 | AKR1B1 (0.47) | MAOBAKR1B1NPC1RAB9AKDM4E | |
| SCHEMBL24470969 | 0.75 | PTGS2 (0.62) | MAPK1KDM4EALDH1A1MEN1MAPT |
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 |