Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 6/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 3/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23497968 | 1.00 | MCHR1 (0.39) | MCHR1CACNA1HPTGER4ALDH1A1ALDH3A1 | |
| SCHEMBL3436601 | 0.88 | CYP2A6 (0.46) | CACNA1HPTGER4ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL21998159 | 0.81 | BRD4 (0.45) | MCHR1CYP3A4CYP2C19 | |
| SCHEMBL22926448 | 0.80 | BRD4 (0.44) | MCHR1CYP3A4CYP2C19 | |
| SCHEMBL27308857 | 0.79 | CYP2A6 (0.46) | PTGER4ALDH1A3HTR2AHTR2CCYP2A6 | |
| SCHEMBL22926449 | 0.78 | BRD4 (0.36) | MCHR1ALDH1A1ALDH1A3CYP3A4CYP2C19 | |
| SCHEMBL30044048 | 0.77 | CYP2A6 (0.47) | CACNA1HPTGER4HTR2AHTR2CCYP2A6 | |
| SCHEMBL23497966 | 0.77 | CYP2A6 (0.47) | CACNA1HPTGER4HTR2AHTR2CCYP2A6 | |
| SCHEMBL23511034 | 0.76 | MAOB (0.39) | CACNA1HHTR2AHTR2CKMO | |
| SCHEMBL23807111 | 0.75 | BRD4 (0.42) | MCHR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4073054-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS | Fondazione Istituto Italiano di Tecnologia (IT) | 2022-10-19 | — | — | EP | disclosed |