Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | STAT6 | P42226 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 3/20 | 0.36 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28790703 | 0.78 | ALDH1A1 (0.73) | KDM4EALDH1A1HPGDCYP3A4CYP2C19 | |
| Cinepazide SCHEMBL8839976 | 0.78 | ALDH1A1 (0.77) | KDM4EALDH1A1HPGDCYP3A4CYP2C19 | |
| Cinepazide SCHEMBL34092 | 0.78 | ALDH1A1 (0.77) | KDM4EALDH1A1HPGDCYP3A4CYP2C19 | |
| Cetiedil SCHEMBL14169136 | 0.76 | CYP3A4 (0.44) | HPGDCYP3A4KMT2ATDP1TP53 | |
| Cetiedil SCHEMBL458084 | 0.76 | CYP3A4 (0.44) | HPGDCYP3A4KMT2ATDP1TP53 | |
| Fumaric Acid SCHEMBL11710489 | 0.76 | KDM4E (0.69) | KDM4EALDH1A1HPGDCYP3A4CYP2C19 | |
| Cinepazide SCHEMBL11009911 | 0.76 | KDM4E (0.72) | KDM4EALDH1A1HPGDCYP3A4CYP2C19 | |
| Cinepazide SCHEMBL27666991 | 0.75 | KDM4E (0.71) | KDM4EALDH1A1HPGDCYP3A4CYP2C19 | |
| Cinepazide SCHEMBL1062368 | 0.75 | KDM4E (0.71) | KDM4EALDH1A1HPGDCYP3A4CYP2C19 | |
| SCHEMBL10646647 | 0.73 | KDM4E (0.67) | KDM4EALDH1A1HPGDCYP3A4CYP2C19 |
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-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |