Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 5/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | GLA | P06280 | 1/20 | 0.60 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.58 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CASP6 | P55212 | 1/20 | 0.45 |
| ▸ | CDC25B | P30305 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid Methyl Ester SCHEMBL27666636 | 0.92 | MAPK1 (0.54) | MAPK1KDM4EGLAVCAM1HCAR3 | |
| SCHEMBL10692442 | 0.88 | KDM4E (0.76) | MAPK1KDM4EGLAVCAM1HCAR3 | |
| SCHEMBL5326555 | 0.84 | HCAR3 (0.77) | KDM4EGLAHCAR3ALDH1A1LMNA | |
| SCHEMBL27553444 | 0.83 | AKR1C3 (0.57) | MAPK1KDM4EGLAVCAM1HCAR3 | |
| SCHEMBL11014183 | 0.81 | MAPK1 (0.73) | MAPK1KDM4EGLAVCAM1HCAR3 | |
| SCHEMBL5981573 | 0.80 | TSHR (0.71) | MAPK1KDM4EVCAM1MAPTALDH1A1 | |
| SCHEMBL10695457 | 0.79 | KDM4E (0.67) | MAPK1KDM4EGLAVCAM1HCAR3 | |
| SCHEMBL5595136 | 0.78 | MAPK1 (0.69) | MAPK1KDM4EVCAM1MAPTALDH1A1 | |
| SCHEMBL6689955 | 0.78 | HPGD (0.53) | MAPK1KDM4EGLAVCAM1HCAR3 | |
| SCHEMBL1647802 | 0.78 | MAPK1 (0.64) | MAPK1KDM4EGLAVCAM1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-105980388-B | Compound (I) | 葛兰素史密斯克莱知识产权发展有限公司 | 2018-01-16 | — | — | CN | disclosed |
| CN-105980388-A | Compound (I) | 葛兰素史密斯克莱知识产权发展有限公司 | 2016-09-28 | — | — | CN | disclosed |