Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 5/20 | 0.41 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 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 | |
|---|---|---|---|---|
| SCHEMBL27834350 | 1.00 | KDM1A (0.41) | KDM1AKDM1BHTR2CHTR2BKDM4E | |
| SCHEMBL29661182 | 0.78 | HTR2C (0.40) | KDM1AHTR2CHTR2BMAOAMAOB | |
| SCHEMBL30704940 | 0.78 | HTR2C (0.40) | KDM1AHTR2CHTR2BMAOAMAOB | |
| SCHEMBL11815023 | 0.78 | BRD4 (0.36) | HTR2CADRA1DADRA1A | |
| SCHEMBL12992673 | 0.77 | CYP3A4 (0.33) | CYP3A4 | |
| SCHEMBL13782207 | 0.77 | GAPDH (0.31) | PTPN7 | |
| SCHEMBL13782147 | 0.77 | GAPDH (0.31) | PTPN7 | |
| SCHEMBL12666370 | 0.77 | CYP3A4 (0.33) | CYP3A4 | |
| SCHEMBL16491843 | 0.77 | KDM1A (0.40) | KDM1AHTR2CHTR2BGAARCOR1 | |
| SCHEMBL27365166 | 0.77 | MEN1 (0.37) | HTR2CHTR2BKDM4EGAAAR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115667250-A | Heterocyclic GLP-1 agonists | 加舒布鲁姆生物公司 | 2023-01-31 | — | — | CN | disclosed |
| CN-105837564-B | One kind benzothiazepines containing pyridine derivative, preparation method and the usage | 贵州大学 | 2019-02-05 | — | — | CN | disclosed |
| CN-105669586-B | One kind prepares 3,4 dihydrobenzos [the b] [method of 1,4] oxazine derivatives | 中国科学院化学研究所 | 2017-11-24 | — | — | CN | disclosed |
| CN-105837564-A | Pyridine-containing benzothiazepine derivatives, and preparation method and application thereof | 贵州大学 | 2016-08-10 | — | — | CN | disclosed |
| CN-105669586-A | Method for preparing 3,4-dihydrobenzo[b][1,4]oxazine derivatives | 中国科学院化学研究所 | 2016-06-15 | — | — | CN | disclosed |