Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.33 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 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 | |
|---|---|---|---|---|
| SCHEMBL27859137 | 0.78 | TSHR (0.41) | ALDH1A1MAPTSMN1; SMN2TSHRCYP3A4 | |
| SCHEMBL29525219 | 0.75 | ALDH1A1 (0.53) | ALDH1A1MAPTSMN1; SMN2TSHRCYP3A4 | |
| SCHEMBL440478 | 0.75 | ALDH1A1 (0.53) | ALDH1A1MAPTSMN1; SMN2TSHRCYP3A4 | |
| SCHEMBL31361810 | 0.74 | ALDH1A1 (0.41) | ALDH1A1MAPTSMN1; SMN2TSHRCYP3A4 | |
| SCHEMBL2471756 | 0.74 | ALDH1A1 (0.47) | ALDH1A1MAPTSMN1; SMN2TSHRCYP3A4 | |
| SCHEMBL397387 | 0.74 | ATM (0.50) | ALDH1A1MAPTSMN1; SMN2TSHRCYP3A4 | |
| SCHEMBL18216945 | 0.73 | ALDH1A1 (0.45) | ALDH1A1MAPTSMN1; SMN2TSHRCYP3A4 | |
| SCHEMBL27841693 | 0.73 | POLB (0.39) | ALDH1A1TSHRCYP3A4HIF1AHSD17B10 | |
| SCHEMBL15927701 | 0.73 | TDP1 (0.43) | ALDH1A1MAPTSMN1; SMN2TSHRCYP3A4 | |
| SCHEMBL27781739 | 0.73 | ATM (0.51) | ALDH1A1MAPTSMN1; SMN2TSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102471284-A | Dihydropyrimidone amides as P2X7 modulators | HOFFMANN LA ROCHE | 2012-05-23 | — | — | CN | disclosed |
| CN-102264722-A | Dihydropyridone amides as p2x7 modulators | — | 2011-11-30 | — | — | CN | disclosed |