Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 9/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL23867475 | 0.79 | POLB (0.55) | MAPK8CDC7MEN1KMT2AKDM4E | |
| SCHEMBL23867513 | 0.70 | MAPK8 (0.44) | ACHEMAPK8CDC7ROCK2ROCK1 | |
| SCHEMBL23867573 | 0.70 | PYGM (0.51) | ACHECCNE1CDK2ALDH1A1HPGD | |
| SCHEMBL25630335 | 0.69 | ROCK2 (0.68) | ACHEMAPK8CDC7ROCK2ROCK1 | |
| SCHEMBL25630336 | 0.69 | MAPK8 (0.52) | ACHEMAPK8CDC7ROCK2ROCK1 | |
| SCHEMBL15698538 | 0.69 | CCNE1 (0.61) | ACHEMAPK8CDC7MEN1KMT2A | |
| SCHEMBL18921584 | 0.69 | ACHE (0.54) | ACHEMAPK8CDC7ROCK2ROCK1 | |
| SCHEMBL23867514 | 0.69 | POLB (0.50) | ACHEMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL28296626 | 0.67 | ACHE (0.50) | ACHEMAPK8CDC7ROCK2ROCK1 | |
| SCHEMBL23867508 | 0.65 | ALDH1A1 (0.55) | KDM4ETSHRCCNE1CDK2ALDH1A1 |
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 |