Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.47 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TLR2 | O60603 | 1/20 | 0.33 |
| ▸ | NT5E | P21589 | 1/20 | 0.33 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| SCHEMBL2226679 | 0.80 | BACE1 (0.44) | BACE1PABPC1CYP2A6PSMB5ALDH1A1 | |
| SCHEMBL4347785 | 0.77 | BACE1 (0.58) | BACE1PABPC1CYP2A6PSMB5ALDH1A1 | |
| SCHEMBL29768297 | 0.77 | BACE1 (0.58) | BACE1PABPC1CYP2A6PSMB5ALDH1A1 | |
| SCHEMBL16535036 | 0.77 | TDP1 (0.59) | BACE1ALDH1A1KDM4EMAPTKMT2A | |
| SCHEMBL11872346 | 0.75 | TDP1 (0.62) | BACE1PABPC1CYP2A6PSMB5ALDH1A1 | |
| SCHEMBL28198392 | 0.70 | PABPC1 (0.54) | BACE1PABPC1CYP2A6ALDH1A1KDM4E | |
| SCHEMBL29077372 | 0.70 | BACE1 (0.61) | BACE1PABPC1CYP2A6PSMB5ALDH1A1 | |
| SCHEMBL31419066 | 0.69 | BACE1 (0.41) | BACE1PABPC1CYP2A6PSMB5ALDH1A1 | |
| SCHEMBL1517340 | 0.69 | BACE1 (0.46) | BACE1PABPC1CYP2A6PSMB5ALDH1A1 | |
| SCHEMBL10283406 | 0.69 | BACE1 (0.41) | BACE1PABPC1CYP2A6PSMB5ALDH1A1 |
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-116217478-A | Synthesis method of 6-amino-3-difluoromethyl quinoline | 苏州康润医药有限公司 | 2023-06-06 | — | — | CN | disclosed |