Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 3/20 | 0.44 |
| ▸ | DRD3 | P35462 | 5/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.44 |
| ▸ | DRD4 | P21917 | 3/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | RET | P07949 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL23867524 | 0.90 | HCRTR1 (0.52) | HCRTR1HCRTR2DRD3DRD2DRD4 | |
| SCHEMBL23867521 | 0.79 | HTR1A (0.50) | SRCDRD3HTR1AALDH1A1HPGD | |
| SCHEMBL23867479 | 0.79 | POLB (0.49) | ALDH1A1HPGDTSHRGFERSMN1; SMN2 | |
| SCHEMBL30234371 | 0.77 | ROCK1 (0.46) | HCRTR1HCRTR2ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL31094227 | 0.76 | SLC2A1 (0.44) | ALDH1A1HPGDRETKDM4ELMNA | |
| SCHEMBL23867578 | 0.76 | HTR1A (0.48) | SRCDRD3HTR1AALDH1A1HPGD | |
| SCHEMBL23867468 | 0.74 | HRH3 (0.45) | HCRTR1HCRTR2ALDH1A1HPGDTSHR | |
| SCHEMBL23867470 | 0.73 | HRH3 (0.44) | HCRTR1HCRTR2ALDH1A1HPGDACHE | |
| SCHEMBL30234700 | 0.73 | HRH3 (0.47) | HTR1AALDH1A1HPGDKDM4ELMNA | |
| SCHEMBL23867490 | 0.73 | HRH3 (0.42) | HCRTR1HCRTR2SRCDRD3DRD2 |
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 |