Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.48 |
| ▸ | CCNE1 | P24864 | 8/20 | 0.44 |
| ▸ | CDK2 | P24941 | 8/20 | 0.44 |
| ▸ | HTR2A | P28223 | 4/20 | 0.43 |
| ▸ | SRC | P12931 | 3/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | CCND3 | P30281 | 1/20 | 0.40 |
| ▸ | CDK7 | P50613 | 1/20 | 0.40 |
| ▸ | CCNH | P51946 | 1/20 | 0.40 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.40 |
| ▸ | CDK6 | Q00534 | 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 | |
|---|---|---|---|---|
| SCHEMBL23867512 | 0.87 | ACHE (0.50) | ACHECCNE1CDK2HTR2ASRC | |
| SCHEMBL23867578 | 0.87 | HTR1A (0.48) | CCNE1CDK2HTR2ASRCDRD3 | |
| SCHEMBL23867577 | 0.81 | HTR2A (0.51) | HTR2ASRCDRD3 | |
| SCHEMBL23867476 | 0.76 | HRH3 (0.55) | CCNE1CDK2 | |
| SCHEMBL23867509 | 0.75 | CCNE1 (0.50) | CCNE1CDK2LMNA | |
| SCHEMBL23867573 | 0.75 | PYGM (0.51) | ACHECCNE1CDK2 | |
| SCHEMBL23867521 | 0.74 | HTR1A (0.50) | CCNE1CDK2HTR2ASRCDRD3 | |
| SCHEMBL23867514 | 0.71 | POLB (0.50) | ACHEHTR2ASRCPOLB | |
| SCHEMBL23867513 | 0.71 | MAPK8 (0.44) | ACHECDK2 | |
| SCHEMBL25403667 | 0.70 | HTT (0.49) | HTR2ADRD3LMNATSHRHTT |
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-2021195279-A2 | SMALL MOLECULE INHIBITORS OF ONCOGENIC CHD1L WITH PRECLINICAL ACTIVITY AGAINST COLORECTAL CANCER | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2021-09-30 | — | — | WO | disclosed |