Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27908800 | 0.82 | MAPT (0.32) | KDM4EMAPTLMNAHSD17B10 | |
| SCHEMBL27908784 | 0.81 | MTNR1A (0.43) | ALDH1A1KDM4EMTNR1AMTNR1BLMNA | |
| SCHEMBL28678155 | 0.80 | HTR2A (0.45) | MAPTABCG2HTR2AHTR2CHTR2B | |
| SCHEMBL27908788 | 0.78 | MTNR1A (0.43) | ALDH1A1KDM4EMAPTHTR2AHTR2C | |
| SCHEMBL28929780 | 0.77 | ALDH1A1 (0.57) | ALDH1A1KDM4EMAPTHTR2AHTR2C | |
| SCHEMBL28672698 | 0.74 | HTR2A (0.59) | ALDH1A1KDM4EMAPTHTR2AHTR2C | |
| SCHEMBL9068972 | 0.74 | HTT (0.41) | ALDH1A1KDM4EMAPTERN1CYP1A2 | |
| SCHEMBL27551542 | 0.73 | KDM4E (0.33) | KDM4EMAPTHSD17B10 | |
| SCHEMBL24825685 | 0.73 | ALDH1A1 (0.42) | ALDH1A1KDM4EMAPTABCG2PDE3B | |
| SCHEMBL27309524 | 0.72 | GPR17 (0.39) | CYP1A2CYP2C19MTNR1AMTNR1BGAA |
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 |