Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | BCHE | P06276 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.41 |
| ▸ | RELA | Q04206 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.39 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.39 |
| ▸ | HSPD1 | P10809 | 2/20 | 0.39 |
| ▸ | HSPE1 | P61604 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27668573 | 0.79 | MAPT (0.41) | MAPTBCHECYP3A4RAB9ALMNA | |
| SCHEMBL28281346 | 0.79 | MAPT (0.44) | MAPTBCHECYP3A4RAB9ALMNA | |
| SCHEMBL27668415 | 0.71 | MAOB (0.44) | MAPTBCHECYP3A4RAB9ALMNA | |
| SCHEMBL6364619 | 0.70 | MAOB (0.39) | MAPTBCHECYP3A4RAB9ALMNA | |
| SCHEMBL28913516 | 0.70 | MAPT (0.40) | MAPTBCHECYP3A4RAB9ALMNA | |
| SCHEMBL3501859 | 0.69 | MAPT (0.47) | MAPTBCHECYP3A4RAB9ALMNA | |
| SCHEMBL28829324 | 0.68 | MAPT (0.43) | MAPTBCHECYP3A4RAB9ALMNA | |
| SCHEMBL27863367 | 0.68 | MAPT (0.43) | MAPTBCHECYP3A4RAB9ALMNA | |
| SCHEMBL27741900 | 0.67 | MAPT (0.44) | MAPTBCHECYP3A4RAB9ALMNA | |
| SCHEMBL31338648 | 0.66 | MAPT (0.43) | MAPTBCHECYP3A4RAB9ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-105085218-B | A kind of A ring has the quinoid chalcone compound of methyl, preparation method and anti-inflammatory activity | 中国医学科学院药物研究所 | 2019-04-09 | — | — | CN | disclosed |
| CN-105085218-A | Quinoid chalcone compound with methyl group at A ring, and preparation method and anti-inflammatory activity thereof | INST MATERIA MEDICA CAMS | 2015-11-25 | — | — | CN | disclosed |