Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 4/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 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 | |
|---|---|---|---|---|
| SCHEMBL19015510 | 1.00 | PTGS2 (0.39) | PTGS2BACE1MAPTALDH1A1MAPK1 | |
| SCHEMBL29709737 | 0.88 | MAPT (0.35) | PTGS2BACE1MAPTALDH1A1MAPK1 | |
| SCHEMBL10179458 | 0.88 | MAPT (0.35) | PTGS2BACE1MAPTALDH1A1MAPK1 | |
| SCHEMBL10179459 | 0.88 | MAPT (0.35) | PTGS2BACE1MAPTALDH1A1MAPK1 | |
| SCHEMBL406829 | 0.76 | PTGS2 (0.47) | PTGS2BACE1MAPTALDH1A1MAPK1 | |
| SCHEMBL29996459 | 0.76 | PTGS2 (0.47) | PTGS2BACE1MAPTALDH1A1MAPK1 | |
| SCHEMBL1096483 | 0.76 | PTGS2 (0.47) | PTGS2BACE1MAPTALDH1A1MAPK1 | |
| SCHEMBL3133057 | 0.75 | VCP (0.38) | PTGS2MAPTALDH1A1MAPK1HTT | |
| SCHEMBL17533407 | 0.75 | CYP1A2 (0.42) | PTGS2MAPTALDH1A1MAPK1HTT | |
| SCHEMBL30204572 | 0.75 | VCP (0.38) | PTGS2MAPTALDH1A1MAPK1HTT |
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-104955824-B | It is used as the aminopyrimidine compounds of the inhibitor of the EGFR mutant containing T790M | 豪夫迈·罗氏有限公司 | 2017-09-22 | — | — | CN | disclosed |