Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 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 |
| ▸ | SRC | P12931 | 3/20 | 0.39 |
| ▸ | CCR4 | P51679 | 3/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | PIK3C2A | O00443 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23867524 | 0.81 | HCRTR1 (0.52) | HRH3DRD2DRD4DRD3MAPT | |
| SCHEMBL23867481 | 0.77 | HRH3 (0.51) | HRH3MAPTSRCADORA3 | |
| SCHEMBL23867579 | 0.75 | SRC (0.40) | MAPTALDH1A1SRCSLC2A1THRB | |
| SCHEMBL23867489 | 0.74 | MGLL (0.44) | MAPTALDH1A1CDK2SRCADORA3 | |
| SCHEMBL23867485 | 0.73 | HCRTR1 (0.46) | DRD2DRD4DRD3ALDH1A1HCRTR1 | |
| SCHEMBL3645171 | 0.70 | HTR2C (0.58) | MAPTALDH1A1CCR4 | |
| SCHEMBL23867474 | 0.70 | SRC (0.51) | DRD3MAPTALDH1A1SRC | |
| SCHEMBL23867478 | 0.70 | SRC (0.53) | HRH3DRD3SRC | |
| SCHEMBL30234371 | 0.67 | ROCK1 (0.46) | MAPTALDH1A1HCRTR1HCRTR2CCNT1 | |
| SCHEMBL27429693 | 0.67 | BRAF (0.47) | DRD2DRD4DRD3SRC |
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 |