Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 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 |
| ▸ | JUN | P05412 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.32 |
| ▸ | RELA | Q04206 | 2/20 | 0.32 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15282441 | 0.84 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT | |
| SCHEMBL1427749 | 0.82 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT | |
| SCHEMBL14390103 | 0.76 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT | |
| SCHEMBL8664351 | 0.76 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT | |
| SCHEMBL5409166 | 0.76 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT | |
| SCHEMBL23695123 | 0.76 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT | |
| SCHEMBL24922312 | 0.72 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT | |
| SCHEMBL15321296 | 0.72 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT | |
| SCHEMBL21373790 | 0.69 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT | |
| SCHEMBL11908962 | 0.69 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1SMN1; SMN2KMT2APOLB |
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 |
|---|---|---|---|---|---|---|---|
| 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 |