Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.32 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8715997 | 0.76 | CYP2A6 (0.50) | CYP2A6NPC1RAB9AALDH1A1TSHR | |
| SCHEMBL9754533 | 0.76 | MAOB (0.48) | NPC1CASP3RAB9ASENP8SENP7 | |
| SCHEMBL9754623 | 0.74 | CYP2A6 (0.65) | CYP2A6NPC1ALDH1A1ESR1POLB | |
| SCHEMBL18595899 | 0.71 | CYP2A6 (0.46) | CYP2A6RAB9APIM1CSNK2A1ALDH1A1 | |
| SCHEMBL5224960 | 0.70 | CYP2A6 (0.42) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL1420897 | 0.69 | MAPT (0.53) | CYP2A6NPC1CASP3RAB9ASENP8 | |
| SCHEMBL8133718 | 0.68 | CYP2A6 (0.47) | CYP2A6RAB9AALDH1A1CHRM2CHRM4 | |
| SCHEMBL147059 | 0.68 | CYP2A6 (0.47) | CYP2A6RAB9AALDH1A1TSHRCHRM2 | |
| SCHEMBL12279059 | 0.68 | HTR2C (0.47) | SLC22A12HTR2CHTR2AHTR2B | |
| SCHEMBL17426232 | 0.68 | HTR2C (0.47) | SLC22A12HTR2CHTR2AHTR2B |
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 |