Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 5/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 4/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL20734821 | 1.00 | ABCB1 (0.52) | ABCB1ABCG2BCHEOPRK1KDM4E | |
| SCHEMBL20734898 | 0.81 | TSHR (0.45) | ABCB1MEN1KMT2A | |
| SCHEMBL20734899 | 0.81 | TSHR (0.45) | ABCB1MEN1KMT2A | |
| SCHEMBL20734897 | 0.81 | PLA2G10 (0.39) | ALDH1A1MEN1KMT2A | |
| SCHEMBL20734891 | 0.81 | PLA2G10 (0.39) | ALDH1A1MEN1KMT2A | |
| SCHEMBL20734837 | 0.79 | L3MBTL1 (0.42) | ALDH1A1MEN1KMT2A | |
| SCHEMBL20734913 | 0.79 | PARP15 (0.40) | KDM4EALDH1A1HTR1AKMT2A | |
| SCHEMBL20734916 | 0.79 | PARP15 (0.40) | KDM4EALDH1A1HTR1AKMT2A | |
| SCHEMBL21929341 | 0.78 | MAOB (0.48) | ABCB1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL20734910 | 0.78 | MMP1 (0.48) | ABCB1BCHEMEN1KMT2A |
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-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 |
| 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 |