Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.44 |
| ▸ | CDK2 | P24941 | 2/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 7/20 | 0.44 |
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL30165658 | 0.90 | HRH3 (0.53) | HRH3CCNE1CDK2PTGDR2HTR2C | |
| SCHEMBL23859943 | 0.90 | HRH3 (0.53) | HRH3CCNE1CDK2PTGDR2HTR2C | |
| SCHEMBL23867578 | 0.88 | HTR1A (0.48) | HTR1ASRCCCNE1CDK2HTR2A | |
| SCHEMBL23867512 | 0.86 | ACHE (0.50) | HRH3SRCCCNE1CDK2PTGDR2 | |
| SCHEMBL23867522 | 0.84 | HTR2A (0.53) | HRH3SRCPTGDR2HTR2ADRD3 | |
| SCHEMBL23867478 | 0.80 | SRC (0.53) | HRH3SRCHTR2ADRD3HTR2C | |
| SCHEMBL23867519 | 0.79 | HTR2A (0.51) | HRH3SRCHTR2ADRD3HTR2C | |
| SCHEMBL23867485 | 0.79 | HCRTR1 (0.46) | HTR1ASRCHTR2ADRD3KDM4E | |
| SCHEMBL30234371 | 0.78 | ROCK1 (0.46) | CCNE1CDK2KDM4EALDH1A1LMNA | |
| SCHEMBL23867509 | 0.76 | CCNE1 (0.50) | CCNE1CDK2KDM4EALDH1A1LMNA |
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 |