Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 7/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9516976 | 0.91 | KEAP1 (0.53) | KMT2ACYP1A2MEN1CYP2C19MAPT | |
| SCHEMBL29002624 | 0.83 | KMT2A (0.49) | KMT2ACYP1A2MEN1CYP2C19MAPT | |
| SCHEMBL7904249 | 0.80 | EPHX1 (0.45) | MAPTKIF11HTTLMNAALDH1A1 | |
| SCHEMBL1410564 | 0.79 | KEAP1 (0.61) | KMT2ACYP1A2MEN1CYP2C19KEAP1 | |
| SCHEMBL2451043 | 0.79 | CYP1A2 (0.57) | KMT2ACYP1A2MEN1CYP2C19MAPT | |
| SCHEMBL1411424 | 0.79 | KEAP1 (0.61) | KMT2ACYP1A2MEN1CYP2C19KEAP1 | |
| SCHEMBL2451041 | 0.79 | CYP1A2 (0.57) | KMT2ACYP1A2MEN1CYP2C19MAPT | |
| SCHEMBL75349 | 0.79 | KCNN4 (0.53) | KMT2ACYP1A2MEN1CYP2C19KEAP1 | |
| Hydrochloric Acid SCHEMBL377451 | 0.79 | EPHX1 (0.44) | MAPTKIF11HTTLMNAALDH1A1 | |
| SCHEMBL22758114 | 0.76 | MAPT (0.55) | KMT2ACYP2C19MAPTKEAP1NFE2L2 |
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-113613724-A | Compounds useful in HIV therapy | 葛兰素史克知识产权开发有限公司 | 2021-11-05 | — | — | CN | disclosed |