Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | PTPRO | Q16827 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3985652 | 0.89 | KDM4E (0.42) | KDM4EALDH1A1LMNAHTTHPGD | |
| SCHEMBL3990937 | 0.85 | KDM4E (0.40) | KDM4EALDH1A1LMNAHTTHPGD | |
| SCHEMBL3988560 | 0.79 | SIGMAR1 (0.39) | KDM4EALDH1A1LMNAHTTHPGD | |
| SCHEMBL3983860 | 0.77 | SIGMAR1 (0.38) | KDM4EALDH1A1LMNAHTTHPGD | |
| SCHEMBL2343211 | 0.77 | TSHR (0.59) | KDM4EALDH1A1LMNAHTTHPGD | |
| SCHEMBL3984027 | 0.77 | MTNR1A (0.47) | LMNAHTTMAPTTSHRPTGES | |
| SCHEMBL3987581 | 0.76 | SIGMAR1 (0.40) | KDM4EALDH1A1LMNAHTTHPGD | |
| Hydrochloric Acid SCHEMBL3792219 | 0.75 | TSHR (0.58) | KDM4EALDH1A1LMNAHTTHPGD | |
| SCHEMBL3991224 | 0.75 | TSHR (0.49) | TSHRPTGESNR1H2NR1H3SLC6A2 | |
| SCHEMBL3992534 | 0.75 | LMNA (0.45) | KDM4EALDH1A1LMNAHTTHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2061449-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | Leo Pharma A/S (DK) | 2009-05-27 | — | — | EP | claimed |
| WO-2008019690-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2008-02-21 | — | — | WO | claimed |
| EP-2061449-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | Leo Pharma A/S (DK) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008019690-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2008-02-21 | — | — | WO | disclosed |