Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14407776 | 0.86 | MPO (0.57) | CYP2A13KDM4EALDH1A1MPOKMT2A | |
| SCHEMBL1641681 | 0.82 | ALDH1A1 (0.58) | KDM4EALDH1A1POLBMPOMEN1 | |
| SCHEMBL2912056 | 0.81 | ALDH1A1 (0.61) | KDM4EALDH1A1POLBMPOMEN1 | |
| SCHEMBL27535071 | 0.79 | MPO (0.46) | CYP2A13KDM4EALDH1A1MPOKMT2A | |
| SCHEMBL4764209 | 0.78 | CYP2A13 (0.64) | CYP2A13KDM4EALDH1A1 | |
| SCHEMBL4103976 | 0.78 | CYP2A13 (1.00) | CYP2A13KDM4EALDH1A1KMT2A | |
| SCHEMBL28594898 | 0.78 | KMT2A (0.66) | CYP2A13KDM4EALDH1A1KMT2A | |
| SCHEMBL3412153 | 0.78 | MC4R (0.56) | KDM4EALDH1A1POLBMPOKMT2A | |
| SCHEMBL2338990 | 0.78 | CYP2A13 (0.64) | CYP2A13KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL7510280 | 0.78 | MPO (0.44) | CYP2A13KDM4EALDH1A1POLBMPO |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016131789-A1 | BENZOPYRROLIDONE DERIVATIVES POSSESSING ANTIVIRAL AND ANTICANCER PROPERTIES | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2016-08-25 | — | — | WO | disclosed |
| EP-3056202-A1 | BENZOPYRROLIDONE DERIVATIVES POSSESSING ANTIVIRAL AND ANTICANCER PROPERTIES | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2016-08-17 | — | — | EP | disclosed |
| WO-2009034390-A1 | HETEROCYCLIC DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C | ARROW THERAPEUTICS LIMITED (GB) | 2009-03-19 | — | — | WO | disclosed |