Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ATF1 | P18846 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL3319831 | 1.00 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1POLBCASP6SMN1; SMN2 | |
| SCHEMBL3319836 | 1.00 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1POLBCASP6SMN1; SMN2 | |
| SCHEMBL3319508 | 0.86 | NPC1 (0.34) | SMN1; SMN2NPC1RAB9AHSD17B10 | |
| SCHEMBL17141150 | 0.86 | NPC1 (0.34) | SMN1; SMN2NPC1RAB9AHSD17B10 | |
| SCHEMBL3319502 | 0.86 | NPC1 (0.34) | SMN1; SMN2NPC1RAB9AHSD17B10 | |
| SCHEMBL2199460 | 0.85 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1POLBCASP6SMN1; SMN2 | |
| SCHEMBL2199455 | 0.85 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1POLBCASP6SMN1; SMN2 | |
| SCHEMBL3313889 | 0.84 | NPC1 (0.33) | SMN1; SMN2NPC1RAB9AHSD17B10 | |
| SCHEMBL3313883 | 0.84 | NPC1 (0.33) | SMN1; SMN2NPC1RAB9AHSD17B10 | |
| SCHEMBL3316889 | 0.83 | THRA (0.34) | SMN1; SMN2NPC1RAB9AHSD17B10KMT2A |
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-2014155300-A2 | SUBSTITUED PYRIMIDINE AMINE DERIVATIVES AS TAK-1 INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2014-10-02 | — | — | WO | disclosed |
| WO-2014155300-A2 | SUBSTITUED PYRIMIDINE AMINE DERIVATIVES AS TAK-1 INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2014-10-02 | — | — | WO | disclosed |