Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | DCTPP1 | Q9H773 | 3/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11943861 | 0.88 | ALDH1A1 (0.37) | ALDH1A1NPBWR1MCHR1SMN1; SMN2KDM4E | |
| SCHEMBL14899749 | 0.88 | SMN1; SMN2 (0.45) | ALDH1A1NPBWR1MCHR1SMN1; SMN2CYP1A2 | |
| SCHEMBL11943859 | 0.87 | ROCK2 (0.39) | ALDH1A1NPBWR1MCHR1SMN1; SMN2KDM4E | |
| SCHEMBL11943857 | 0.85 | ALDH1A1 (0.44) | ALDH1A1NPBWR1MCHR1SMN1; SMN2KDM4E | |
| SCHEMBL17058316 | 0.85 | SLC2A1 (0.35) | ALDH1A1NPBWR1MCHR1SMN1; SMN2KDM4E | |
| SCHEMBL11944036 | 0.84 | ALDH1A1 (0.48) | ALDH1A1NPBWR1MCHR1SMN1; SMN2DCTPP1 | |
| SCHEMBL17058072 | 0.84 | MCHR1 (0.36) | ALDH1A1NPBWR1MCHR1SMN1; SMN2KDM4E | |
| SCHEMBL11943856 | 0.84 | ROCK2 (0.42) | ALDH1A1NPBWR1MCHR1SMN1; SMN2KDM4E | |
| SCHEMBL17058164 | 0.84 | ALDH1A1 (0.38) | ALDH1A1NPBWR1MCHR1SMN1; SMN2KDM4E | |
| SCHEMBL17058160 | 0.84 | MAPT (0.46) | ALDH1A1SMN1; SMN2KDM4EPKMMAPT |
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-2137179-B1 | PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS | MERCK SHARP & DOHME (US) | 2015-09-02 | — | — | EP | disclosed |