Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK7 | P49862 | 6/20 | 0.36 |
| ▸ | KLK5 | Q9Y337 | 5/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 7/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.34 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL20734866 | 1.00 | KLK7 (0.36) | KLK7KLK5CHRM2CHRM1CHRM3 | |
| SCHEMBL29060299 | 0.87 | KLK7 (0.35) | KLK7KLK5CHRM2CHRM1CHRM3 | |
| SCHEMBL29526186 | 0.80 | NR1H2 (0.38) | KLK7KLK5CHRM2CHRM1CHRM3 | |
| SCHEMBL32683207 | 0.80 | CHRM2 (0.35) | KLK7KLK5CHRM2CHRM1CHRM3 | |
| SCHEMBL34475689 | 0.79 | CHRM2 (0.38) | KLK7KLK5CHRM2CHRM1CHRM3 | |
| SCHEMBL14515887 | 0.79 | CHRM2 (0.38) | KLK7KLK5CHRM2CHRM1CHRM3 | |
| SCHEMBL581822 | 0.79 | CHRM2 (0.34) | KLK7KLK5CHRM2CHRM1CHRM3 | |
| SCHEMBL20734946 | 0.78 | CHRM2 (0.33) | KLK7KLK5CHRM2CHRM1CHRM3 | |
| SCHEMBL20734945 | 0.78 | CHRM2 (0.33) | KLK7KLK5CHRM2CHRM1CHRM3 | |
| SCHEMBL3398097 | 0.78 | CHRM2 (0.37) | KLK7KLK5CHRM2CHRM1CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019029274-A1 | 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND AND PREPARATION METHOD THEREFOR | 北京卓凯生物技术有限公司 | 2019-02-14 | — | — | WO | disclosed |
| WO-2019029273-A1 | 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 北京卓凯生物技术有限公司 | 2019-02-14 | — | — | WO | disclosed |