Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | PKM | P14618 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.49 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.49 |
| ▸ | MITF | O75030 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27454868 | 0.89 | KMT2A (0.61) | KDM4EMAPTPOLBCES2CES1 | |
| SCHEMBL31633615 | 0.87 | CES2 (0.64) | KDM4EMAPTPOLBCES2CES1 | |
| SCHEMBL1228223 | 0.87 | CES2 (0.64) | KDM4EMAPTPOLBCES2CES1 | |
| SCHEMBL31390431 | 0.86 | CES2 (0.53) | KDM4EMAPTPOLBCES2CES1 | |
| SCHEMBL11665942 | 0.81 | KMT2A (0.65) | MAPTPOLBNPC1RAB9AKMT2A | |
| SCHEMBL647632 | 0.81 | HSD17B10 (0.64) | KDM4EPOLBNPC1RAB9AKMT2A | |
| SCHEMBL8345410 | 0.79 | CES2 (0.50) | KDM4EMAPTPOLBCES2CES1 | |
| SCHEMBL16460100 | 0.78 | KMT2A (0.78) | KDM4EMAPTCES2CES1NPC1 | |
| SCHEMBL27505714 | 0.78 | L3MBTL1 (0.61) | KDM4EMAPTPOLBCES2CES1 | |
| SCHEMBL31135050 | 0.78 | KMT2A (0.78) | KDM4EMAPTCES2CES1NPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106491593-A | The application of alantolactone derivant and its salt in treatment inflammatory bowel medicine is prepared | 天承南运(天津)科技有限公司 | 2017-03-15 | — | — | CN | claimed |
| CN-106491592-A | The application of alantolactone derivant and its salt in treatment thyroiditiss medicine is prepared | 南开大学 | 2017-03-15 | — | — | CN | claimed |
| CN-106496243-A | The application of isoalantolactone derivant and its salt in treatment pulmonary fibrosis medicine is prepared | 南开大学 | 2017-03-15 | — | — | CN | claimed |
| CN-106491594-A | The application of alantolactone derivant and its salt in treatment pulmonary fibrosis medicine is prepared | 南开大学 | 2017-03-15 | — | — | CN | claimed |
| CN-106474109-A | The application in preparation treatment inflammatory bowel medicine of isoalantolactone derivant and its salt | 天承南运(天津)科技有限公司 | 2017-03-08 | — | — | CN | claimed |