Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.46 |
| ▸ | CDK2 | P24941 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 7/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | SRC | P12931 | 2/20 | 0.41 |
| ▸ | MYC | P01106 | 1/20 | 0.40 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.40 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.40 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.40 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.40 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.40 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.40 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23867509 | 0.89 | CCNE1 (0.50) | CCNE1CDK2KDM4EALDH1A1LMNA | |
| SCHEMBL23867521 | 0.88 | HTR1A (0.50) | HTR1ACCNE1CDK2KDM4EALDH1A1 | |
| SCHEMBL23867572 | 0.87 | ACHE (0.48) | CCNE1CDK2LMNAHTR2ADRD3 | |
| SCHEMBL23867577 | 0.84 | HTR2A (0.51) | HTR2ADRD3SRC | |
| SCHEMBL30165658 | 0.77 | HRH3 (0.53) | CCNE1CDK2KDM4EALDH1A1LMNA | |
| SCHEMBL23859943 | 0.77 | HRH3 (0.53) | CCNE1CDK2KDM4EALDH1A1LMNA | |
| SCHEMBL23867485 | 0.76 | HCRTR1 (0.46) | HTR1AKDM4EALDH1A1LMNAHPGD | |
| SCHEMBL23867575 | 0.76 | PYGM (0.51) | CCNE1CDK2KDM4EALDH1A1LMNA | |
| SCHEMBL23867512 | 0.74 | ACHE (0.50) | CCNE1CDK2LMNAHTR2ADRD3 | |
| SCHEMBL23867479 | 0.72 | POLB (0.49) | KDM4EALDH1A1LMNAHPGDALOX15 |
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 |