Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.47 |
| ▸ | BCHE | P06276 | 3/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.46 |
| ▸ | ELANE | P08246 | 5/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | TYMS | P04818 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.40 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.40 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29740318 | 0.84 | DCPS (0.61) | DCPSDHFRKCNH2 | |
| SCHEMBL3340224 | 0.84 | DCPS (0.61) | DCPSDHFRKCNH2 | |
| SCHEMBL12282308 | 0.81 | ACHE (0.45) | ACHEBCHEGRIN1GRIN2AELANE | |
| SCHEMBL12261740 | 0.81 | ACHE (0.45) | ACHEBCHEGRIN1GRIN2AELANE | |
| SCHEMBL1772232 | 0.79 | ELANE (0.47) | ACHEBCHEGRIN1GRIN2AELANE | |
| SCHEMBL1621962 | 0.78 | ELANE (0.46) | ACHEBCHEGRIN1GRIN2AELANE | |
| SCHEMBL15293077 | 0.78 | DCPS (0.73) | ACHEELANEDCPSDHFRKDM4E | |
| SCHEMBL30507830 | 0.78 | DCPS (0.73) | ACHEELANEDCPSDHFRKDM4E | |
| SCHEMBL2261387 | 0.77 | KCNH2 (0.50) | DCPSDHFRKDM4EMEN1ALDH1A1 | |
| SCHEMBL9268529 | 0.76 | TDP1 (0.48) | ACHEBCHEGRIN1GRIN2AELANE |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104363908-B | pyrrolidinyl heterocyclic | 霍夫曼-拉罗奇有限公司 | 2017-12-22 | — | — | CN | claimed |
| WO-2023133217-A1 | 2-(INDAZOL-5-YL)-6-(PIPERIDIN-4-YL)-1,7-NAPHTHYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS FOR SPLICING NUCLEIC ACIDS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES | REMIX THERAPEUTICS INC. (US) | 2023-07-13 | — | — | WO | disclosed |
| CN-108239074-B | Quinazoline compound, preparation method, application and pharmaceutical composition thereof | 中国医学科学院药物研究所 | 2021-07-06 | — | — | CN | disclosed |
| CN-110382490-A | Quinazoline compounds and preparation method thereof, purposes and pharmaceutical composition | 中国医学科学院药物研究所 | 2019-10-25 | — | — | CN | disclosed |
| CN-110115365-A | The adjusting that actinism receptor and relative ligand are carried out | 西诺米克斯公司 | 2019-08-13 | — | — | CN | disclosed |
| CN-108239074-A | Quinazoline compounds and preparation method thereof, purposes and pharmaceutical composition | 中国医学科学院药物研究所 | 2018-07-03 | — | — | CN | disclosed |
| CN-104363908-B | pyrrolidinyl heterocyclic | 霍夫曼-拉罗奇有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-101779124-B | Modulation of chemosensory receptors and ligands associated therewith | 西诺米克斯公司 | 2017-12-12 | — | — | CN | disclosed |
| CN-107365319-A | The regulation carried out to actinism acceptor and relative part | 西诺米克斯公司 | 2017-11-21 | — | — | CN | disclosed |
| US-5387585-A | Treating epilepsy, anxiety, sleep disorders, schizophrnia, senile dementia | HOFFMANN-LA ROCHE INC. (US) | 1995-02-07 | — | — | US | disclosed |
| EP-0519307-A2 | Tetracyclic Imidazodiazepines | F. HOFFMANN-LA ROCHE AG (CH) | 1992-12-23 | — | — | EP | disclosed |