Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.43 |
| ▸ | DNM2 | P50570 | 2/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.41 |
| ▸ | MERTK | Q12866 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL91452 | 0.79 | NPSR1 (0.46) | ALDH1A1HRH4DNM2CDC7MERTK | |
| SCHEMBL16139311 | 0.78 | DNM2 (0.46) | ALDH1A1HRH4DNM2CDC7MERTK | |
| SCHEMBL3674953 | 0.78 | HRH4 (0.43) | ALDH1A1HRH4DNM2CDC7MERTK | |
| SCHEMBL11480039 | 0.78 | SCN9A (0.44) | ALDH1A1HRH4DNM2CDC7MERTK | |
| SCHEMBL11497625 | 0.78 | ALDH1A1 (0.71) | ALDH1A1PKMRAD52HPGDCYP1A2 | |
| SCHEMBL19821751 | 0.76 | HRH4 (0.40) | ALDH1A1HRH4DNM2CDC7MERTK | |
| SCHEMBL12963680 | 0.75 | HRH4 (0.41) | ALDH1A1HRH4DNM2CDC7MERTK | |
| SCHEMBL14516259 | 0.75 | CYP1A2 (0.45) | HRH4DNM2CDC7MERTKCYP1A2 | |
| SCHEMBL84398 | 0.75 | ACACB (0.42) | ALDH1A1HRH4DNM2CDC7MERTK | |
| SCHEMBL15181300 | 0.75 | SYK (0.44) | ALDH1A1HRH4DNM2CDC7MERTK |
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-3038622-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | MEDIVATION TECH LLC (US) | 2018-05-30 | — | — | EP | disclosed |