Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12413632 | 0.84 | SMN1; SMN2 (0.42) | SMN1; SMN2ALDH1A1L3MBTL1KMT2AMAPT | |
| SCHEMBL5335551 | 0.81 | SMN1; SMN2 (0.44) | SMN1; SMN2ALDH1A1L3MBTL1KMT2AMAPT | |
| SCHEMBL30577163 | 0.81 | SMN1; SMN2 (0.44) | SMN1; SMN2ALDH1A1L3MBTL1KMT2AMAPT | |
| SCHEMBL16885200 | 0.78 | MAPT (0.40) | SMN1; SMN2ALDH1A1L3MBTL1KMT2AMAPT | |
| SCHEMBL29048242 | 0.77 | CSNK1A1 (0.36) | SMN1; SMN2ALDH1A1L3MBTL1KMT2AMAPT | |
| SCHEMBL19174276 | 0.76 | ALDH1A1 (0.38) | SMN1; SMN2ALDH1A1L3MBTL1KMT2AMAPT | |
| SCHEMBL23850342 | 0.75 | SMN1; SMN2 (0.34) | SMN1; SMN2ALDH1A1L3MBTL1KMT2APOLB | |
| SCHEMBL30967052 | 0.74 | ALDH1A1 (0.34) | SMN1; SMN2ALDH1A1L3MBTL1KMT2APOLB | |
| SCHEMBL27257575 | 0.74 | ALDH1A1 (0.34) | SMN1; SMN2ALDH1A1L3MBTL1KMT2APOLB | |
| SCHEMBL20909386 | 0.74 | ALDH1A1 (0.39) | SMN1; SMN2ALDH1A1L3MBTL1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011045807-A2 | A NOVEL PROCESS TO MANUFACTURE (2R,3S)-2-(2,4-DIFLUOROPHENYL)-3-(5-FLUOROPYRIMIDIN-4-YL)-1-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL | NEULAND LABORATORIES LTD. (IN) | 2011-04-21 | — | — | WO | claimed |
| WO-2020207260-A1 | CDK INHIBITOR AND APPLICATION THEREOF | 珠海宇繁生物科技有限责任公司 | 2020-10-15 | — | — | WO | disclosed |