Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | FABP4 | P15090 | 2/20 | 0.38 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | FABP3 | P05413 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28433235 | 0.84 | CNR2 (0.40) | CYP1A2CYP2C19HDAC6ALDH1A1FABP4 | |
| SCHEMBL14208571 | 0.83 | ALDH1A1 (0.51) | ALDH1A1PTGER4LMNAL3MBTL1POLB | |
| SCHEMBL14222079 | 0.82 | KDM4E (0.41) | ALDH1A1POLBKMT2AKDM4E | |
| SCHEMBL28442954 | 0.81 | LMNA (0.42) | ALDH1A1LMNAATMTDP1KMT2A | |
| SCHEMBL28444190 | 0.80 | LMNA (0.40) | CYP1A2CYP2C19ALDH1A1FABP4FABP5 | |
| SCHEMBL28438186 | 0.80 | MEN1 (0.44) | CYP1A2CYP2C19HDAC6ALDH1A1PTGER4 | |
| SCHEMBL14222653 | 0.77 | L3MBTL1 (0.54) | CYP1A2CYP2C19ALDH1A1IMPDH2LMNA | |
| SCHEMBL28441417 | 0.77 | ALDH1A1 (0.43) | HDAC6ALDH1A1PTGER4LMNAL3MBTL1 | |
| SCHEMBL28438182 | 0.75 | POLB (0.40) | ALDH1A1FABP4FABP5FABP3LMNA | |
| SCHEMBL22498229 | 0.71 | CYP1A2 (0.64) | CYP1A2CYP2C19HDAC6FABP4FABP5 |
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-106928121-B | High-efficiency preparation method of 3-substituted-benzo five-membered heterocycle-2-carbonyl compound | 暨南大学 | 2020-05-12 | — | — | CN | disclosed |