Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 7/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 4/20 | 0.52 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | GSK3A | P49840 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL15154800 | 0.79 | GAA (0.59) | ALDH1A1KDM4EHPGDHTR2BPDE4A | |
| SCHEMBL17303458 | 0.76 | KDM4E (0.77) | ALDH1A1KDM4EPDE4APDE4BPDE4C | |
| SCHEMBL27479149 | 0.76 | HPGD (1.00) | ALDH1A1HPGDMAPK1TSHRMEN1 | |
| SCHEMBL7132525 | 0.76 | HPGD (1.00) | ALDH1A1HPGDMAPK1TSHRMEN1 | |
| SCHEMBL1060312 | 0.75 | KDM4E (1.00) | ALDH1A1KDM4EHPGDPDE4APDE4B | |
| SCHEMBL8947386 | 0.74 | HPGD (0.57) | ALDH1A1HPGDMAPK1RIPK1TSHR | |
| SCHEMBL857458 | 0.74 | IKBKB (0.63) | ALDH1A1HPGDRIPK1GSK3AGSK3B | |
| SCHEMBL10721733 | 0.74 | HPGD (0.95) | ALDH1A1KDM4EHPGDMAPK1TSHR | |
| SCHEMBL7383120 | 0.73 | KDM4E (0.72) | ALDH1A1KDM4EPDE4APDE4BPDE4C | |
| SCHEMBL2424622 | 0.73 | HTT (0.49) | ALDH1A1HPGDHTR2BRIPK1NPC1 |
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-2391625-A1 | NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF | Domain Therapeutics (FR) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010084425-A1 | NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF | DOMAIN THERAPEUTICS (FR) | 2010-07-29 | — | — | WO | disclosed |