Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | BPTF | Q12830 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | PI4KA | P42356 | 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 | |
|---|---|---|---|---|
| SCHEMBL28254340 | 0.82 | — | — | |
| SCHEMBL22588493 | 0.81 | HTR1A (0.33) | FAAHMGLLALDH1A1 | |
| SCHEMBL27457816 | 0.80 | MEN1 (0.41) | ALDH1A1POLBMEN1KMT2ALMNA | |
| SCHEMBL28043008 | 0.80 | ALDH1A1 (0.45) | NOTUMMAPTALDH1A1GAAMEN1 | |
| SCHEMBL28261507 | 0.79 | MAPK1 (0.33) | MGLLNOTUMMAPTALDH1A1MEN1 | |
| SCHEMBL2362320 | 0.78 | MAPT (0.35) | MAPTALDH1A1GAAMEN1KMT2A | |
| SCHEMBL32675963 | 0.76 | NOTUM (0.36) | KEAP1NOTUMNFE2L2 | |
| SCHEMBL28171948 | 0.72 | FAAH (0.41) | KEAP1FAAHMGLLNOTUMMAPT | |
| SCHEMBL28918666 | 0.72 | DHFR (0.30) | — | |
| SCHEMBL28178897 | 0.71 | CYP2A6 (0.40) | MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-103889962-B | Substituted n-(3-(pyrimidin-4-yl)phenyl)acrylamide analogs as tyrosine receptor kinase BTK inhibitors | 犹他大学研究基金会 | 2017-05-03 | — | — | CN | disclosed |