Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.36 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.36 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.36 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.36 |
| ▸ | WDR5 | P61964 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.33 |
| ▸ | HTR3B | O95264 | 2/20 | 0.33 |
| ▸ | HTR3A | P46098 | 2/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | AGXT | P21549 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4437860 | 0.80 | CYP3A4 (0.41) | TSHRORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL19820142 | 0.80 | ENPP2 (0.41) | TSHRORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL7461964 | 0.80 | TSHR (0.40) | TSHRORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL31492054 | 0.77 | TSHR (0.38) | TSHRORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL11815 | 0.76 | ENPP2 (0.56) | TSHRORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL1138514 | 0.76 | ORAI1 (0.54) | TSHRORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL28878253 | 0.76 | ACHE (0.42) | ALDH1A1ENPP2PARP1HTR3EHTR3B | |
| SCHEMBL4832666 | 0.74 | CYP2D6 (0.36) | TSHRORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL150115 | 0.73 | TRPV6 (0.50) | TSHRORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL28329900 | 0.73 | ENPP2 (0.67) | TSHRALDH1A1ENPP2PARP1HTR3E |
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-108409773-A | Compound and its application containing triazine group and a kind of organic electroluminescence device | 北京绿人科技有限责任公司 | 2018-08-17 | — | — | CN | disclosed |
| CN-108164513-A | Substituted oxo pyridine derivative and its purposes in terms of cardiovascular disorder is treated | 拜耳制药股份公司 | 2018-06-15 | — | — | CN | disclosed |
| CN-105164122-B | Substituted oxopyridine derivatives and their use in the treatment of cardiovascular disorders | 拜耳制药股份公司 | 2018-02-02 | — | — | CN | disclosed |
| CN-105164122-A | Substituted oxopyridine derivatives and their use in the treatment of cardiovascular disorders | Bayer Pharma AG | 2015-12-16 | — | — | CN | disclosed |