Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.53 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.53 |
| ▸ | HTR1A | P08908 | 3/20 | 0.52 |
| ▸ | GALR2 | O43603 | 3/20 | 0.51 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.49 |
| ▸ | GALR1 | P47211 | 2/20 | 0.48 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23867468 | 0.89 | HRH3 (0.45) | HCRTR1HCRTR2SLC2A1CCNE1CDK2 | |
| SCHEMBL23867470 | 0.88 | HRH3 (0.44) | HCRTR1HCRTR2SLC2A1CCNE1CDK2 | |
| SCHEMBL23867472 | 0.88 | HRH3 (0.48) | HCRTR1HCRTR2SLC2A1CCNE1CDK2 | |
| SCHEMBL30234700 | 0.83 | HRH3 (0.47) | HTR1ASLC2A1CCNE1CDK2KDM4E | |
| SCHEMBL23867524 | 0.81 | HCRTR1 (0.52) | HCRTR1HCRTR2SLC2A1MAPK1TAAR1 | |
| SCHEMBL30979651 | 0.80 | SLC2A1 (0.51) | HCRTR1HCRTR2HTR1ASLC2A1MAPK1 | |
| SCHEMBL31094227 | 0.79 | SLC2A1 (0.44) | SLC2A1CCNE1CDK2KDM4EMCHR1 | |
| SCHEMBL31094238 | 0.75 | SLC2A1 (0.50) | GALR2SLC2A1MAPK1TAAR1GALR1 | |
| SCHEMBL23859943 | 0.75 | HRH3 (0.53) | GALR2GALR1CCNE1CDK2KDM4E | |
| SCHEMBL30165658 | 0.75 | HRH3 (0.53) | GALR2GALR1CCNE1CDK2KDM4E |
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 |