Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | BCHE | P06276 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 6/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | HTR5A | P47898 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3991227 | 0.79 | ALDH1A1 (0.46) | KDM4EALDH1A1BCHEMEN1KMT2A | |
| SCHEMBL3743961 | 0.78 | CASR (0.61) | MEN1KMT2AFFAR1 | |
| SCHEMBL29194688 | 0.78 | BCHE (0.80) | KDM4EALDH1A1NPC1BCHEMEN1 | |
| SCHEMBL5177357 | 0.76 | BCHE (0.65) | KDM4EALDH1A1NPC1BCHEMEN1 | |
| SCHEMBL8496610 | 0.75 | BCHE (0.79) | KDM4EALDH1A1NPC1BCHEMEN1 | |
| SCHEMBL3984027 | 0.73 | MTNR1A (0.47) | FFAR1 | |
| SCHEMBL3985384 | 0.72 | KMT2A (0.46) | KDM4EALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL13900495 | 0.71 | CHRM2 (0.64) | KDM4EALDH1A1NPC1BCHEMEN1 | |
| SCHEMBL16982018 | 0.71 | BCHE (0.65) | KDM4EALDH1A1NPC1BCHEMEN1 | |
| SCHEMBL18114970 | 0.71 | CHRM2 (0.77) | KDM4EALDH1A1NPC1BCHEMEN1 |
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 |