Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | KHK | P50053 | 1/20 | 0.54 |
| ▸ | LRRK2 | Q5S007 | 8/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MST1 | P26927 | 1/20 | 0.44 |
| ▸ | STK4 | Q13043 | 1/20 | 0.44 |
| ▸ | STK3 | Q13188 | 1/20 | 0.44 |
| ▸ | STK26 | Q9P289 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | JAK1 | P23458 | 1/20 | 0.43 |
| ▸ | TYK2 | P29597 | 1/20 | 0.43 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19779649 | 0.86 | LRRK2 (0.47) | ALDH1A1HPGDLRRK2KDM4EPOLB | |
| SCHEMBL2366726 | 0.84 | CYP1A2 (0.49) | ALDH1A1HPGDLRRK2KDM4EKMT2A | |
| SCHEMBL30546556 | 0.84 | CYP1A2 (0.49) | ALDH1A1HPGDLRRK2KDM4EKMT2A | |
| SCHEMBL14376159 | 0.81 | PDE10A (0.51) | ALDH1A1HPGDKHKLRRK2KDM4E | |
| SCHEMBL14376028 | 0.79 | ALDH1A1 (0.45) | ALDH1A1HPGDKHKLRRK2KDM4E | |
| SCHEMBL20369636 | 0.79 | MAPK1 (0.44) | ALDH1A1HPGDKHKLRRK2KDM4E | |
| SCHEMBL3948357 | 0.78 | KDM4E (0.57) | ALDH1A1HPGDKHKLRRK2KDM4E | |
| SCHEMBL25147705 | 0.78 | LRRK2 (0.38) | ALDH1A1HPGDKHKLRRK2KDM4E | |
| SCHEMBL31659591 | 0.78 | LRRK2 (0.38) | ALDH1A1HPGDKHKLRRK2KDM4E | |
| SCHEMBL22717583 | 0.77 | PPARG (0.45) | ALDH1A1HPGDKHKLRRK2KDM4E |
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-7312209-B2 | Acridone inhibitors of IMPDH enzyme | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-12-25 | — | — | US | disclosed |