Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE1 | P24864 | 6/20 | 0.50 |
| ▸ | CDK2 | P24941 | 6/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | DNMT1 | P26358 | 4/20 | 0.44 |
| ▸ | DNMT3L | Q9UJW3 | 3/20 | 0.44 |
| ▸ | DNMT3A | Q9Y6K1 | 3/20 | 0.44 |
| ▸ | MYC | P01106 | 1/20 | 0.44 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.44 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.44 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.44 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | STING1 | Q86WV6 | 3/20 | 0.43 |
| ▸ | GALR2 | O43603 | 2/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL23867578 | 0.89 | HTR1A (0.48) | CCNE1CDK2LMNAKDM4EALDH1A1 | |
| SCHEMBL23859943 | 0.85 | HRH3 (0.53) | CCNE1CDK2LMNAKDM4EALDH1A1 | |
| SCHEMBL30165658 | 0.85 | HRH3 (0.53) | CCNE1CDK2LMNAKDM4EALDH1A1 | |
| SCHEMBL30979651 | 0.80 | SLC2A1 (0.51) | LMNAKDM4EALDH1A1MAPT | |
| SCHEMBL30234151 | 0.80 | IMPDH2 (0.46) | CCNE1CDK2LMNAKDM4EALDH1A1 | |
| SCHEMBL23867521 | 0.76 | HTR1A (0.50) | CCNE1CDK2LMNAKDM4EALDH1A1 | |
| SCHEMBL23867572 | 0.75 | ACHE (0.48) | CCNE1CDK2LMNA | |
| SCHEMBL23867523 | 0.75 | SLC2A1 (0.49) | CCNE1CDK2LMNAKDM4EALDH1A1 | |
| SCHEMBL30234371 | 0.75 | ROCK1 (0.46) | CCNE1CDK2LMNAKDM4EALDH1A1 | |
| SCHEMBL31094225 | 0.75 | CCNE1 (0.49) | CCNE1CDK2LMNAKDM4EALDH1A1 |
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 |