Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | HTR2B | P41595 | 2/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6977811 | 0.82 | GPR84 (0.53) | HTR2CHTR2AHTR2BGPR84FFAR1 | |
| SCHEMBL742887 | 0.78 | GPR84 (0.42) | HTR2CHTR2AHTR2BGPR84FFAR1 | |
| SCHEMBL11558250 | 0.73 | MEN1 (0.66) | CYP2D6MEN1KMT2ASLC6A4CYP1A2 | |
| SCHEMBL11824477 | 0.71 | GPR84 (0.47) | HTR2CHTR2AHTR2BGPR84FFAR1 | |
| SCHEMBL1239890 | 0.70 | GPR84 (0.67) | HTR2CHTR2AHTR2BGPR84FFAR1 | |
| SCHEMBL29356418 | 0.70 | GPR84 (0.67) | HTR2CHTR2AHTR2BGPR84FFAR1 | |
| SCHEMBL6888701 | 0.70 | GPR84 (0.56) | HTR2CHTR2AHTR2BGPR84FFAR1 | |
| SCHEMBL12894952 | 0.70 | GPR84 (0.67) | HTR2CHTR2AHTR2BGPR84FFAR1 | |
| SCHEMBL4331721 | 0.69 | GPR84 (0.54) | HTR2CHTR2AHTR2BGPR84FFAR1 | |
| SCHEMBL1442314 | 0.69 | HTR6 (0.63) | HTR2CHTR2AALDH1A1CYP2D6ADRB2 |
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-107174586-B | Pharmaceutical composition with arundoin derivative as active ingredient and application thereof | 中国科学院昆明植物研究所 | 2020-08-11 | — | — | CN | disclosed |