Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 7/20 | 0.82 |
| ▸ | MAPT | P10636 | 5/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.77 |
| ▸ | TP53 | P04637 | 2/20 | 0.77 |
| ▸ | ATM | Q13315 | 1/20 | 0.77 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.77 |
| ▸ | MEN1 | O00255 | 3/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.72 |
| ▸ | HPGD | P15428 | 2/20 | 0.72 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.72 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.72 |
| ▸ | USP2 | O75604 | 1/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.72 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.72 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.72 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.71 |
| ▸ | DPP4 | P27487 | 1/20 | 0.71 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.71 |
| ▸ | RELA | Q04206 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL30138773 | 1.00 | ABCG2 (0.82) | ABCG2MAPTCYP3A4KMT2ATP53 | |
| SCHEMBL25221559 | 0.91 | ABCG2 (0.88) | ABCG2MAPTCYP3A4KMT2ATP53 | |
| SCHEMBL10850463 | 0.90 | ABCG2 (1.00) | ABCG2MAPTCYP3A4KMT2ATP53 | |
| SCHEMBL10850468 | 0.90 | ABCG2 (1.00) | ABCG2MAPTCYP3A4KMT2ATP53 | |
| SCHEMBL30383114 | 0.90 | ABCG2 (1.00) | ABCG2MAPTCYP3A4KMT2ATP53 | |
| Flavokawain B SCHEMBL30382640 | 0.87 | MAPT (1.00) | ABCG2MAPTCYP3A4KMT2ATP53 | |
| Flavokawain B SCHEMBL29439356 | 0.87 | MAPT (1.00) | ABCG2MAPTCYP3A4KMT2ATP53 | |
| Flavokawain B SCHEMBL1675987 | 0.87 | MAPT (1.00) | ABCG2MAPTCYP3A4KMT2ATP53 | |
| Flavokawain B SCHEMBL25185055 | 0.87 | MAPT (1.00) | ABCG2MAPTCYP3A4KMT2ATP53 | |
| Flavokawain B SCHEMBL1938260 | 0.87 | MAPT (1.00) | ABCG2MAPTCYP3A4KMT2ATP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020228513-A1 | NOVEL CDK9 INHIBITOR BASED ON BENZOPYRAN STRUCTURE, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国药科大学 | 2020-11-19 | — | — | WO | disclosed |