Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | INSR | P06213 | 1/20 | 0.37 |
| ▸ | IGF1R | P08069 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3989721 | 0.82 | KDM4E (0.41) | KDM4EALDH1A1LMNAHTTHPGD | |
| SCHEMBL3990937 | 0.80 | KDM4E (0.40) | KDM4EALDH1A1LMNAHTTHPGD | |
| SCHEMBL3739123 | 0.76 | CASR (0.42) | HTTSIGMAR1CYP2D6 | |
| SCHEMBL9086683 | 0.74 | SIGMAR1 (0.46) | KDM4EALDH1A1LMNAHTTHPGD | |
| SCHEMBL3992396 | 0.72 | SIGMAR1 (0.41) | KDM4EALDH1A1LMNAHTTHPGD | |
| SCHEMBL3988560 | 0.71 | SIGMAR1 (0.39) | KDM4EALDH1A1LMNAHTTHPGD | |
| SCHEMBL2343211 | 0.70 | TSHR (0.59) | KDM4EALDH1A1LMNAHTTHPGD | |
| SCHEMBL3983860 | 0.70 | SIGMAR1 (0.38) | KDM4EALDH1A1LMNAHTTHPGD | |
| Hydrochloric Acid SCHEMBL3792219 | 0.69 | TSHR (0.58) | KDM4EALDH1A1LMNAHTTHPGD | |
| SCHEMBL9089453 | 0.69 | SIGMAR1 (0.46) | 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 2 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 |