Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.49 |
| ▸ | BCL6 | P41182 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 5/20 | 0.46 |
| ▸ | AURKA | O14965 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23867519 | 0.90 | HTR2A (0.51) | HRH3PTPN11BCL6HTR2CBRD4 | |
| SCHEMBL23867482 | 0.85 | HRH3 (0.52) | HRH3HTR2CMAPTNPC1RAB9A | |
| SCHEMBL23867476 | 0.82 | HRH3 (0.55) | HRH3PTPN11HTR2CROCK2 | |
| SCHEMBL23867481 | 0.82 | HRH3 (0.51) | HRH3PTPN11HTR2CMAPT | |
| SCHEMBL30165658 | 0.77 | HRH3 (0.53) | HRH3HTR2CMAPTROCK2NPC1 | |
| SCHEMBL23859943 | 0.77 | HRH3 (0.53) | HRH3HTR2CMAPTROCK2NPC1 | |
| SCHEMBL23867522 | 0.75 | HTR2A (0.53) | HRH3HTR2C | |
| SCHEMBL23867478 | 0.73 | SRC (0.53) | HRH3HTR2C | |
| SCHEMBL23867512 | 0.73 | ACHE (0.50) | HRH3PTPN11HTR2C | |
| SCHEMBL30979645 | 0.72 | SYK (0.58) | BCL6HTR2CAURKAROCK2ROCK1 |
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 |