Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5157746 | 0.89 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4EHPGDTSHR | |
| SCHEMBL30177551 | 0.87 | ALDH1A1 (0.50) | ALDH1A1MAPTKDM4EHPGDTSHR | |
| SCHEMBL31054164 | 0.85 | MAPT (0.48) | ALDH1A1MAPTKDM4EHPGDTSHR | |
| SCHEMBL4735612 | 0.82 | ALDH1A1 (0.54) | ALDH1A1MAPTKDM4EHPGDTSHR | |
| SCHEMBL3262902 | 0.81 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4EHPGDTSHR | |
| SCHEMBL2021481 | 0.81 | BCAT2 (0.46) | ALDH1A1MAPTKDM4EHPGDTSHR | |
| SCHEMBL3379979 | 0.80 | BCAT2 (0.44) | ALDH1A1MAPTKDM4EHPGDTSHR | |
| SCHEMBL30839543 | 0.80 | ALDH1A1 (0.44) | ALDH1A1MAPTKDM4EHPGDTSHR | |
| SCHEMBL1002853 | 0.80 | MAPT (0.53) | ALDH1A1MAPTKDM4EHPGDTSHR | |
| Bromide SCHEMBL4760758 | 0.79 | MAPT (0.51) | ALDH1A1MAPTKDM4EHPGDTSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1745022-B1 | HISTONE DEACETYLASE INHIBITOR PRODRUGS | ATON PHARMA INC (US) | 2014-08-13 | — | — | EP | claimed |
| US-8227636-B2 | Histone deacetylase inhibitor prodrugs | MERCK HDAC RESEARCH, LLC (US) | 2012-07-24 | — | — | US | claimed |
| EP-1745022-B1 | HISTONE DEACETYLASE INHIBITOR PRODRUGS | ATON PHARMA INC (US) | 2014-08-13 | — | — | EP | disclosed |
| EP-1745022-A1 | HISTONE DEACETYLASE INHIBITOR PRODRUGS | Aton Pharma, Inc. (US) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005097747-A1 | HISTONE DEACETYLASE INHIBITOR PRODRUGS | ATON PHARMA, INC. (US) | 2005-10-20 | — | — | WO | disclosed |