Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | HTR2B | P41595 | 3/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9550090 | 0.81 | — | — | |
| SCHEMBL13645488 | 0.79 | EPAS1 (0.30) | — | |
| SCHEMBL12993104 | 0.79 | CYP3A4 (0.38) | MAOA | |
| SCHEMBL29883871 | 0.79 | KDM1A (0.44) | HTR2AHTR2CHTR2BKDM1ARCOR1 | |
| SCHEMBL23558679 | 0.79 | — | — | |
| SCHEMBL23609781 | 0.79 | HTR2C (0.42) | HTR2AHTR2CHTR2BCYP19A1MAOB | |
| SCHEMBL3467392 | 0.79 | KDM1A (0.44) | HTR2AHTR2CHTR2BKDM1ARCOR1 | |
| SCHEMBL29994518 | 0.79 | SLC6A3 (0.44) | HTR2AHTR2CHTR2BTAAR1KDM1A | |
| SCHEMBL29369454 | 0.79 | HTR2C (0.42) | HTR2AHTR2CHTR2BCYP19A1MAOB | |
| SCHEMBL28011741 | 0.79 | SLC6A3 (0.44) | HTR2AHTR2CHTR2BTAAR1KDM1A |
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-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 |