Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.55 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.50 |
| ▸ | CDC7 | O00311 | 1/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.47 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.47 |
| ▸ | CDK2 | P24941 | 3/20 | 0.47 |
| ▸ | HTR2C | P28335 | 7/20 | 0.46 |
| ▸ | CFTR | P13569 | 2/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.42 |
| ▸ | GABRA6 | Q16445 | 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 | |
|---|---|---|---|---|
| SCHEMBL23867512 | 0.89 | ACHE (0.50) | HRH3PTPN11CCNE1CDK2HTR2C | |
| SCHEMBL23859943 | 0.85 | HRH3 (0.53) | HRH3CCNE1CDK2HTR2CCFTR | |
| SCHEMBL30165658 | 0.85 | HRH3 (0.53) | HRH3CCNE1CDK2HTR2CCFTR | |
| SCHEMBL23867510 | 0.82 | HRH3 (0.52) | HRH3PTPN11HTR2CROCK2 | |
| SCHEMBL23867481 | 0.81 | HRH3 (0.51) | HRH3PTPN11HTR2CCFTRGABRA1 | |
| SCHEMBL23867482 | 0.78 | HRH3 (0.52) | HRH3HTR2CCFTRPTGDR2 | |
| SCHEMBL23867513 | 0.77 | MAPK8 (0.44) | MAPK8CDC7CDK2ROCK2HSP90AA1 | |
| SCHEMBL23867572 | 0.76 | ACHE (0.48) | CCNE1CDK2 | |
| SCHEMBL30234371 | 0.76 | ROCK1 (0.46) | CCNE1CDK2ROCK2 | |
| SCHEMBL23867521 | 0.75 | HTR1A (0.50) | HRH3CCNE1CDK2HTR2CPTGDR2 |
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 |