Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 4/20 | 0.51 |
| ▸ | ACHE | P22303 | 4/20 | 0.51 |
| ▸ | BACE1 | P56817 | 4/20 | 0.51 |
| ▸ | TEAD1 | P28347 | 2/20 | 0.48 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | TYK2 | P29597 | 1/20 | 0.45 |
| ▸ | JAK3 | P52333 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 3/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3398473 | 0.84 | TEAD1 (0.57) | ALDH1A1TSHRBCHEACHEBACE1 | |
| SCHEMBL12419665 | 0.79 | MEN1 (0.60) | ACHEMEN1KMT2ADRD4DRD2 | |
| SCHEMBL5542857 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TSHRBCHEACHEBACE1 | |
| SCHEMBL12419666 | 0.77 | MEN1 (0.50) | ALDH1A1BCHEACHELMNAMEN1 | |
| SCHEMBL13070020 | 0.75 | MBTD1 (0.51) | ALDH1A1TSHRBCHEACHEBACE1 | |
| SCHEMBL2553332 | 0.75 | KCNH2 (0.45) | ALDH1A1BCHEACHEBACE1TEAD1 | |
| SCHEMBL15570990 | 0.75 | KDM1A (0.40) | JAK2JAK1TYK2JAK3DRD2 | |
| SCHEMBL19538689 | 0.75 | TSHR (0.60) | ALDH1A1TSHRBCHEACHEBACE1 | |
| SCHEMBL15591085 | 0.75 | ALDH1A1 (0.68) | ALDH1A1TSHRBCHEACHEBACE1 | |
| SCHEMBL2856132 | 0.75 | ALDH1A1 (0.64) | ALDH1A1TSHRBCHEACHEBACE1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2246329-A1 | 4(1H)-pyridinone derivatives and their use as antimalaria agents | Glaxo Group Limited (GB) | 2010-11-03 | — | — | EP | disclosed |