Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | RHEB | Q15382 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.33 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.32 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.32 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.32 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.32 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL28291587 | 0.84 | ALDH1A1 (0.40) | HSD17B10MAPTKDM4ERHEBALDH1A1 | |
| SCHEMBL2957852 | 0.77 | ALDH1A1 (0.49) | MAPTKDM4EALDH1A1S1PR1S1PR3 | |
| Ethoxycarbonyl Group SCHEMBL27491182 | 0.73 | NSD2 (0.42) | RHEBALDH1A1HPGDMEN1KMT2A | |
| Ethoxycarbonyl Group SCHEMBL27551543 | 0.73 | NR3C1 (0.35) | HSD17B10MAPTKDM4EALDH1A1 | |
| SCHEMBL19329763 | 0.73 | KDM4E (0.45) | HSD17B10MAPTKDM4ERHEBALDH1A1 | |
| Ethoxycarbonyl Group SCHEMBL27908786 | 0.73 | TUBB1 (0.41) | MEN1KMT2ABRD4 | |
| Ethoxycarbonyl Group SCHEMBL27309525 | 0.72 | RHEB (0.43) | RHEBALDH1A1 | |
| Ethoxycarbonyl Group SCHEMBL28678157 | 0.72 | TUBB4A (0.43) | MAPTKDM4ERHEBALDH1A1MEN1 | |
| Ethoxycarbonyl Group SCHEMBL27891885 | 0.71 | HTR1B (0.51) | MAPTKDM4EALDH1A1MEN1TSHR | |
| Ethoxycarbonyl Group SCHEMBL27778366 | 0.70 | RHEB (0.40) | RHEB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102952062-A | Substituted benzoheterocyclic compounds and preparation method and application thereof | INST MEDICINAL BIOTECHNOLOGY | 2013-03-06 | — | — | CN | claimed |
| CN-102952062-B | Replace benzo-heterocycle compound and its preparation method and application | 中国医学科学院医药生物技术研究所 | 2016-06-08 | — | — | CN | disclosed |
| CN-102952062-A | Substituted benzoheterocyclic compounds and preparation method and application thereof | INST MEDICINAL BIOTECHNOLOGY | 2013-03-06 | — | — | CN | disclosed |