Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | TGM2 | P21980 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7786865 | 0.82 | CA1 (0.50) | CA1CA2MAPTALDH1A1RAB9A | |
| SCHEMBL13733100 | 0.81 | PKM (0.53) | CES2CES1CA1CA2MAPT | |
| SCHEMBL16062004 | 0.80 | CA1 (0.47) | CES2CES1CA1CA2MAPT | |
| SCHEMBL2019776 | 0.79 | CA1 (0.61) | CES2CES1CA1CA2MAPT | |
| SCHEMBL1490975 | 0.78 | EPHX2 (0.44) | ALDH1A1RAB9AHSD17B10 | |
| SCHEMBL9574425 | 0.78 | PDE4A (0.62) | CES2CES1CA1CA2MAPT | |
| SCHEMBL546672 | 0.77 | F3 (0.59) | CES2CES1CA1CA2MAPT | |
| SCHEMBL1490631 | 0.77 | NPC1 (0.47) | MAPTKDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL1490951 | 0.77 | MAPT (0.55) | MAPTKDM4EALDH1A1RAB9A | |
| SCHEMBL29056011 | 0.77 | HDAC3 (0.48) | CES2CES1CA1CA2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2477698-A2 | COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES | Centre National de la Recherche Scientifique (FR) | 2012-07-25 | — | — | EP | disclosed |
| WO-2011033115-A2 | COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2011-03-24 | — | — | WO | disclosed |