Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA3 | P07451 | 2/20 | 0.50 |
| ▸ | CA6 | P23280 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9754462 | 0.94 | MAOB (0.54) | AKR1B1MAOBCA12CA2CA3 | |
| SCHEMBL9754579 | 0.84 | KDM4E (0.57) | AKR1B1MAOBMAPK1ALDH1A1KDM4E | |
| SCHEMBL9754643 | 0.83 | AKR1B1 (0.50) | AKR1B1MAOBSLC2A1MAPK1ALDH1A1 | |
| SCHEMBL9843493 | 0.81 | CA12 (0.55) | AKR1B1MAOBCA12CA2CA3 | |
| SCHEMBL9754499 | 0.81 | PIM1 (0.58) | AKR1B1CA12CA2CA3CA6 | |
| SCHEMBL1066537 | 0.79 | CA12 (0.71) | MAOBCA12CA2CA3CA6 | |
| SCHEMBL9754580 | 0.79 | MAOB (0.52) | AKR1B1MAOBSLC2A1MAPK1ALDH1A1 | |
| SCHEMBL26323653 | 0.75 | AKR1B1 (0.49) | AKR1B1MAOBCA12CA2CA3 | |
| SCHEMBL8827849 | 0.75 | AKR1B1 (0.78) | AKR1B1MAOBSLC2A1MAPK1ALDH1A1 | |
| SCHEMBL9754470 | 0.74 | PIM1 (0.63) | AKR1B1CA12CA2CA3CA6 |
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 |