Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 1/20 | 0.49 |
| ▸ | CCND1 | P24385 | 1/20 | 0.49 |
| ▸ | CCNC | P24863 | 1/20 | 0.49 |
| ▸ | CDK8 | P49336 | 1/20 | 0.49 |
| ▸ | CDK7 | P50613 | 1/20 | 0.49 |
| ▸ | CDK9 | P50750 | 1/20 | 0.49 |
| ▸ | CCNH | P51946 | 1/20 | 0.49 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.49 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 7/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.45 |
| ▸ | PIM1 | P11309 | 2/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.45 |
| ▸ | PLK4 | O00444 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7894913 | 0.85 | PRSS1 (0.50) | CYP2A6 | |
| SCHEMBL4063091 | 0.84 | MASP2 (0.56) | CCNT1CCND1CCNCCDK8CDK7 | |
| Hydrochloric Acid SCHEMBL4058021 | 0.82 | MASP2 (0.54) | CCNT1CCND1CCNCCDK8CDK7 | |
| SCHEMBL24427794 | 0.79 | F11 (0.47) | CYP2A6EGFRGSK3BINSRMAPK8 | |
| SCHEMBL24427731 | 0.76 | CYP2A6 (0.56) | CYP2A6FYNGSK3BCDK1 | |
| SCHEMBL7981198 | 0.76 | CYP2A6 (0.56) | CYP2A6AXL | |
| SCHEMBL19145369 | 0.75 | PARP1 (0.58) | CCNT1CCND1CCNCCDK8CDK7 | |
| SCHEMBL24427757 | 0.73 | SCN2A (0.64) | CYP2A6 | |
| SCHEMBL15145570 | 0.73 | CYP2A6 (0.56) | CYP2A6GSK3B | |
| SCHEMBL24427570 | 0.73 | CYP2A6 (0.56) | CYP2A6PIM1HPGDS |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3998263-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) | 2022-05-18 | — | — | EP | disclosed |