Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | SRC | P12931 | 2/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 4/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23867476 | 0.89 | HRH3 (0.55) | HRH3PTPN11CCNE1CDK2HTR2C | |
| SCHEMBL23867572 | 0.87 | ACHE (0.48) | ACHESRCHTR2ACCNE1CDK2 | |
| SCHEMBL23867521 | 0.86 | HTR1A (0.50) | HRH3SRCHTR2ACCNE1CDK2 | |
| SCHEMBL23867519 | 0.84 | HTR2A (0.51) | HRH3SRCPTPN11HTR2AHTR2C | |
| SCHEMBL23867478 | 0.83 | SRC (0.53) | HRH3SRCHTR2AHTR2CDRD3 | |
| SCHEMBL23867522 | 0.80 | HTR2A (0.53) | HRH3SRCHTR2AHTR2CDRD3 | |
| SCHEMBL23867514 | 0.75 | POLB (0.50) | ACHESRCHTR2APOLBDRD2 | |
| SCHEMBL30165658 | 0.75 | HRH3 (0.53) | HRH3CCNE1CDK2HTR2CLMNA | |
| SCHEMBL23859943 | 0.75 | HRH3 (0.53) | HRH3CCNE1CDK2HTR2CLMNA | |
| SCHEMBL23867578 | 0.74 | HTR1A (0.48) | SRCHTR2ACCNE1CDK2DRD3 |
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 |