Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.49 |
| ▸ | HPGD | P15428 | 8/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | PDE1A | P54750 | 3/20 | 0.37 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.37 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 6/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12146430 | 0.83 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDHSD17B10GAA | |
| SCHEMBL19954252 | 0.73 | ALDH1A1 (0.48) | ALDH1A1KDM4EHPGDHSD17B10GAA | |
| SCHEMBL22995769 | 0.72 | BACE1 (0.44) | ALDH1A1KDM4EHPGDHSD17B10PKM | |
| SCHEMBL259599 | 0.72 | KDM4E (0.51) | ALDH1A1KDM4EHPGDHSD17B10GAA | |
| SCHEMBL23429123 | 0.70 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDHSD17B10GAA | |
| SCHEMBL11892541 | 0.70 | ALDH1A1 (0.38) | ALDH1A1KDM4EHPGDHSD17B10GAA | |
| SCHEMBL23131729 | 0.70 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDHSD17B10GAA | |
| SCHEMBL13370818 | 0.69 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDHSD17B10GAA | |
| SCHEMBL17224054 | 0.69 | KDM4E (0.54) | ALDH1A1KDM4EHPGDHSD17B10GAA | |
| SCHEMBL18575691 | 0.69 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDHSD17B10GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7196095-B2 | (Pyrimidinyl) (phenyl) substituted fused heteroaryl p38 inhibiting and PKG kinase inhibiting compounds | MERCK & CO., INC. (US) | 2007-03-27 | — | — | US | disclosed |