Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK8 | P45983 | 1/20 | 0.44 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 11/20 | 0.42 |
| ▸ | ACHE | P22303 | 4/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | CDK9 | P50750 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23867581 | 0.79 | HTR2A (0.40) | — | |
| SCHEMBL23867476 | 0.77 | HRH3 (0.55) | MAPK8CDC7ROCK2CDK2HSP90AA1 | |
| SCHEMBL23867572 | 0.71 | ACHE (0.48) | ACHECDK2 | |
| SCHEMBL23867506 | 0.70 | ACHE (0.43) | MAPK8CDC7ROCK2ACHEROCK1 | |
| SCHEMBL23867512 | 0.68 | ACHE (0.50) | ACHECDK2 | |
| SCHEMBL23867509 | 0.67 | CCNE1 (0.50) | ROCK2ROCK1CDK2 | |
| SCHEMBL25630336 | 0.67 | MAPK8 (0.52) | MAPK8CDC7ROCK2ACHEROCK1 | |
| SCHEMBL15698538 | 0.67 | CCNE1 (0.61) | MAPK8CDC7ROCK2ACHEROCK1 | |
| SCHEMBL28296626 | 0.65 | ACHE (0.50) | MAPK8CDC7ROCK2ACHEROCK1 | |
| SCHEMBL25630335 | 0.65 | ROCK2 (0.68) | MAPK8CDC7ROCK2ACHEROCK1 |
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 |