Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9843504 | 0.88 | AKR1B1 (0.46) | AKR1B1MAOBKDM4EALDH1A1GAA | |
| SCHEMBL9754635 | 0.86 | AKR1B1 (0.44) | AKR1B1MAOBKDM4EALDH1A1GAA | |
| SCHEMBL9754567 | 0.84 | GABRP (0.57) | AKR1B1MAOBKDM4EALDH1A1GAA | |
| SCHEMBL9843768 | 0.79 | MAOB (0.52) | AKR1B1MAOBKDM4EALDH1A1GAA | |
| SCHEMBL5311626 | 0.78 | MAOA (0.53) | AKR1B1MAOBKDM4EALDH1A1MAPT | |
| SCHEMBL8106509 | 0.77 | AKR1B1 (0.56) | AKR1B1MAOBATMMEN1KMT2A | |
| SCHEMBL9843493 | 0.77 | CA12 (0.55) | AKR1B1MAOBKDM4EALDH1A1GAA | |
| SCHEMBL7469464 | 0.77 | MAOB (0.52) | AKR1B1MAOBKDM4EALDH1A1MAPT | |
| SCHEMBL9754533 | 0.75 | MAOB (0.48) | AKR1B1MAOBKDM4EALDH1A1GAA | |
| SCHEMBL3460446 | 0.75 | MAOB (0.56) | AKR1B1MAOBATMKDM4EALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |