Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | ATR | Q13535 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4629094 | 0.84 | PARP1 (0.47) | PARP1 | |
| SCHEMBL8952887 | 0.82 | KDM4E (0.62) | KDM4EPARP1HPGDDHODH | |
| SCHEMBL7699544 | 0.81 | ADORA1 (0.55) | KDM4EPARP1HPGDPIN1DHODH | |
| SCHEMBL31568976 | 0.81 | ADORA1 (0.55) | KDM4EPARP1HPGDPIN1DHODH | |
| SCHEMBL6961427 | 0.81 | CHEK1 (0.49) | KDM4EKMT2APARP1HPGDPIN1 | |
| SCHEMBL11047665 | 0.81 | KDM4E (0.45) | KDM4EPARP1HPGDPIN1DHODH | |
| SCHEMBL1144691 | 0.81 | HRH4 (0.59) | KDM4EHPGDPIN1ALDH1A1HRH4 | |
| SCHEMBL6988197 | 0.81 | EGLN1 (0.53) | KDM4EPARP1HPGDPIN1DHODH | |
| SCHEMBL6081154 | 0.78 | GRIN1 (0.45) | KDM4EKMT2APARP1GRIN1GRIN2B | |
| SCHEMBL13313499 | 0.78 | PARP1 (0.62) | KDM4EKMT2APARP1HPGDKDM4A |
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-2499114-A1 | COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS | Universita Di Pisa (IT) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011054525-A1 | COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS | UNIVERSITA' DI PISA (IT) | 2011-05-12 | — | — | WO | disclosed |