Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.55 |
| ▸ | MAOA | P21397 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 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 | |
|---|---|---|---|---|
| SCHEMBL9526125 | 0.79 | CYP2A6 (0.59) | CYP2A6KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL3844010 | 0.78 | NPC1 (0.65) | CYP2A6MAOAKDM4EALDH1A1MAPT | |
| SCHEMBL9536657 | 0.76 | MAOA (0.45) | CYP2A6MAOAKDM4EALDH1A1MAPT | |
| SCHEMBL10570869 | 0.76 | CYP2A6 (0.56) | CYP2A6KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL4126701 | 0.76 | MAOA (0.48) | CYP2A6MAOAKDM4EALDH1A1MAPT | |
| SCHEMBL9754583 | 0.75 | CYP2A6 (0.59) | CYP2A6MAOAKDM4EALDH1A1MAPT | |
| SCHEMBL16985102 | 0.74 | MAOA (0.54) | MAOAKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL11764173 | 0.73 | TDP1 (0.47) | CYP2A6MAOAKDM4EALDH1A1MAPT | |
| SCHEMBL1635475 | 0.73 | MAOA (0.59) | MAOAKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL25404731 | 0.73 | CYP2A6 (0.52) | CYP2A6MAOAKDM4EALDH1A1MAPT |
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 |