Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.37 |
| ▸ | CELA1 | Q9UNI1 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29104635 | 0.68 | KDM4E (0.39) | KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL27294093 | 0.68 | NPC1 (0.54) | KDM4EALDH1A1HSD17B10RAB9AMAPT | |
| SCHEMBL28417797 | 0.65 | KDM4E (0.59) | KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL16934952 | 0.64 | NPC1 (0.49) | KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL8323191 | 0.64 | CYP1A2 (0.47) | KDM4EALDH1A1HPGDHSD17B10HTT | |
| SCHEMBL23532024 | 0.64 | NPC1 (0.73) | KDM4ESMN1; SMN2HSD17B10RAB9AMAPT | |
| SCHEMBL27297336 | 0.63 | PLK1 (0.75) | KDM4EALDH1A1HTTMAPTL3MBTL1 | |
| SCHEMBL443475 | 0.63 | KDM4E (0.73) | KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL3184374 | 0.63 | ALDH1A1 (0.50) | KDM4EALDH1A1HSD17B10HTTLOXL2 | |
| SCHEMBL2382535 | 0.63 | LOXL2 (0.40) | KDM4EALDH1A1HPGDHSD17B10LOXL2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1656348-B1 | ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | AXYS PHARM INC (US) | 2007-02-07 | — | — | EP | disclosed |
| EP-1656348-A1 | ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | AXYS PHARMACEUTICALS, INC. (US) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005019174-A1 | ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-03 | — | — | WO | disclosed |