Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | ACP1 | P24666 | 1/20 | 0.34 |
| ▸ | CDC25B | P30305 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 7/20 | 0.33 |
| ▸ | PTGER3 | P43115 | 6/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 5/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 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 | |
|---|---|---|---|---|
| SCHEMBL359186 | 1.00 | ALDH1A1 (0.51) | ALDH1A1GAAMAPTTHRBKDM4E | |
| SCHEMBL359437 | 0.99 | ALDH1A1 (0.52) | ALDH1A1GAAMAPTTHRBKDM4E | |
| SCHEMBL361729 | 0.95 | ALDH1A1 (0.47) | ALDH1A1GAAMAPTTHRBKDM4E | |
| SCHEMBL14916433 | 0.83 | ALDH1A1 (0.45) | ALDH1A1GAAMAPTTHRBKDM4E | |
| SCHEMBL14916530 | 0.83 | ALDH1A1 (0.45) | ALDH1A1GAAMAPTTHRBKDM4E | |
| SCHEMBL14916531 | 0.82 | ALDH1A1 (0.46) | ALDH1A1GAAMAPTTHRBKDM4E | |
| SCHEMBL14916435 | 0.82 | ALDH1A1 (0.46) | ALDH1A1GAAMAPTTHRBKDM4E | |
| SCHEMBL359796 | 0.81 | LMNA (0.34) | ALDH1A1GAAMAPTTHRBLMNA | |
| SCHEMBL359878 | 0.81 | ALDH1A1 (0.32) | ALDH1A1GAAMAPTTHRB | |
| SCHEMBL358852 | 0.77 | — | — |
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-103097357-A | Pyrazole compound | DAINIPPON SUMITOMO PHARMA CO | 2013-05-08 | — | — | CN | disclosed |
| WO-2012008528-A1 | PYRAZOLE COMPOUND | 大日本住友製薬株式会社 (JP) | 2012-01-19 | — | — | WO | disclosed |