Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE1 | P24864 | 6/20 | 0.60 |
| ▸ | CDK2 | P24941 | 6/20 | 0.60 |
| ▸ | GSK3B | P49841 | 4/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 3/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.39 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30546029 | 1.00 | CCNE1 (0.60) | CCNE1CDK2GSK3BCYP3A4GAA | |
| SCHEMBL30545959 | 1.00 | CCNE1 (0.60) | CCNE1CDK2GSK3BCYP3A4GAA | |
| SCHEMBL31059485 | 1.00 | CCNE1 (0.60) | CCNE1CDK2GSK3BCYP3A4GAA | |
| SCHEMBL30546017 | 1.00 | CCNE1 (0.60) | CCNE1CDK2GSK3BCYP3A4GAA | |
| SCHEMBL30545949 | 1.00 | CCNE1 (0.60) | CCNE1CDK2GSK3BCYP3A4GAA | |
| SCHEMBL30546014 | 0.93 | CCNE1 (0.64) | CCNE1CDK2GSK3BCYP3A4GAA | |
| SCHEMBL26000109 | 0.91 | CCNE1 (0.60) | CCNE1CDK2GSK3BCYP3A4GAA | |
| SCHEMBL26000153 | 0.91 | CCNE1 (0.60) | CCNE1CDK2GSK3BCYP3A4GAA | |
| SCHEMBL30546001 | 0.90 | CCNE1 (0.61) | CCNE1CDK2GSK3BCYP3A4GAA | |
| SCHEMBL30546018 | 0.90 | CCNE1 (0.61) | CCNE1CDK2GSK3BCYP3A4GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023154426-A1 | CDK INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-08-17 | — | — | WO | disclosed |