Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | RHEB | Q15382 | 2/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31513824 | 0.84 | MEN1 (0.52) | ALDH1A1MAPTKDM4EMEN1POLB | |
| SCHEMBL5925752 | 0.84 | MEN1 (0.52) | ALDH1A1MAPTKDM4EMEN1POLB | |
| Ethoxycarbonyl Group SCHEMBL27908804 | 0.84 | HSD17B10 (0.36) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| Ethoxycarbonyl Group SCHEMBL27908786 | 0.81 | TUBB1 (0.41) | MEN1KMT2ATUBB4ATUBBTUBA3C | |
| Ethoxycarbonyl Group SCHEMBL28678157 | 0.81 | TUBB4A (0.43) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| Ethoxycarbonyl Group SCHEMBL27908790 | 0.80 | APP (0.38) | ALDH1A1MAPTMEN1POLBKMT2A | |
| Ethoxycarbonyl Group SCHEMBL28929781 | 0.78 | KMT2A (0.69) | ALDH1A1MAPTKDM4EMEN1POLB | |
| Ethoxycarbonyl Group SCHEMBL28672702 | 0.75 | MAOA (0.52) | ALDH1A1MAPTKDM4EMEN1POLB | |
| Ethoxycarbonyl Group SCHEMBL27551543 | 0.73 | NR3C1 (0.35) | ALDH1A1MAPTKDM4EPOLBCYP3A4 | |
| Ethoxycarbonyl Group SCHEMBL27309525 | 0.72 | RHEB (0.43) | ALDH1A1RHEB |
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-102952062-A | Substituted benzoheterocyclic compounds and preparation method and application thereof | INST MEDICINAL BIOTECHNOLOGY | 2013-03-06 | — | — | CN | claimed |
| CN-109748840-A | A kind of synthetic method of 2- substituted indole derivative | 中国医学科学院药物研究所 | 2019-05-14 | — | — | CN | disclosed |
| 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 |