Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 6/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 3/20 | 0.38 |
| ▸ | CNR2 | P34972 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21028330 | 0.72 | ALDH1A1 (0.48) | CNR2CYP2C19KDM4EKMT2AL3MBTL1 | |
| SCHEMBL2854195 | 0.70 | CYP2C19 (0.49) | SMN1; SMN2RAB9ANPC1CYP3A4CYP2C19 | |
| SCHEMBL31244687 | 0.69 | PDE4B (0.36) | CYP2D6CYP3A4CYP2C19KDM4EMEN1 | |
| SCHEMBL2900931 | 0.67 | ALDH1A1 (0.50) | SMN1; SMN2RAB9ANPC1CYP3A4CYP2C19 | |
| SCHEMBL13402324 | 0.65 | SCN1A (0.57) | SMN1; SMN2RAB9ANPC1MEN1KMT2A | |
| SCHEMBL8658423 | 0.65 | HTR2A (0.43) | — | |
| SCHEMBL10587876 | 0.65 | MC4R (0.47) | SMN1; SMN2RAB9ANPC1CYP2C19KDM4E | |
| SCHEMBL10604863 | 0.65 | MC4R (0.47) | SMN1; SMN2RAB9ANPC1CYP2C19KDM4E | |
| SCHEMBL10604755 | 0.65 | MC4R (0.47) | SMN1; SMN2RAB9ANPC1CYP2C19KDM4E | |
| SCHEMBL7459494 | 0.65 | NMT1 (0.52) | TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111763206-A | Method for efficiently preparing azaindole CRTH2 receptor antagonist intermediate | 北京桦冠医药科技有限公司 | 2020-10-13 | — | — | CN | disclosed |
| CN-111349095-A | Method for preparing azaindole compound | 北京桦冠医药科技有限公司 | 2020-06-30 | — | — | CN | disclosed |