Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.72 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.67 |
| ▸ | MAOA | P21397 | 4/20 | 0.64 |
| ▸ | MAPT | P10636 | 3/20 | 0.64 |
| ▸ | NPC1 | O15118 | 2/20 | 0.64 |
| ▸ | RAB9A | P51151 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | ATM | Q13315 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | AURKA | O14965 | 1/20 | 0.61 |
| ▸ | MAOB | P27338 | 2/20 | 0.56 |
| ▸ | BCHE | P06276 | 3/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL28400854 | 1.00 | ABCG2 (0.72) | ABCG2CHRNA7MAOAMAPTNPC1 | |
| SCHEMBL4610666 | 0.92 | ABCG2 (0.85) | ABCG2MAOAMAPTNPC1RAB9A | |
| SCHEMBL4610668 | 0.92 | ABCG2 (0.85) | ABCG2MAOAMAPTNPC1RAB9A | |
| SCHEMBL14837108 | 0.90 | ABCG2 (0.78) | ABCG2CHRNA7MAOAMAPTRAB9A | |
| SCHEMBL1937970 | 0.90 | MAPT (0.60) | ABCG2CHRNA7MAOAMAPTNPC1 | |
| SCHEMBL1937971 | 0.90 | MAPT (0.60) | ABCG2CHRNA7MAOAMAPTNPC1 | |
| SCHEMBL5606932 | 0.90 | ABCG2 (0.78) | ABCG2CHRNA7MAOAMAPTRAB9A | |
| SCHEMBL14836729 | 0.90 | ABCG2 (0.78) | ABCG2CHRNA7MAOAMAPTRAB9A | |
| SCHEMBL4160326 | 0.87 | ABCG2 (0.68) | ABCG2CHRNA7MAOAMAPTCYP3A4 | |
| SCHEMBL5606285 | 0.87 | ABCG2 (0.72) | ABCG2CHRNA7MAOAMAPTNPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107032972-B | Preparation method of Diels-Alder product with 2' -hydroxychalcone structure | 中国人民武装警察部队后勤学院 | 2020-05-12 | — | — | CN | claimed |
| EP-2578222-A1 | Plant extract composition | Lanwehr, Christoph Alexander Bernhard (DE) | 2013-04-10 | — | — | EP | claimed |
| CN-107032972-B | Preparation method of Diels-Alder product with 2' -hydroxychalcone structure | 中国人民武装警察部队后勤学院 | 2020-05-12 | — | — | CN | disclosed |
| EP-2578222-A1 | Plant extract composition | Lanwehr, Christoph Alexander Bernhard (DE) | 2013-04-10 | — | — | EP | disclosed |