Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 6/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | GCK | P35557 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL2487593 | 0.93 | ALDH1A1 (0.46) | ALDH1A1PKMRORCROCK2PTGDR2 | |
| SCHEMBL2491039 | 0.91 | ALDH1A1 (0.43) | ALDH1A1PKMRORCROCK2PTGDR2 | |
| SCHEMBL2318514 | 0.89 | RORC (0.45) | ALDH1A1PKMRORCROCK2PTGDR2 | |
| SCHEMBL2490686 | 0.89 | SMN1; SMN2 (0.45) | ALDH1A1PKMRORCROCK2PTGDR2 | |
| SCHEMBL2317038 | 0.88 | NPC1 (0.46) | ALDH1A1PKMRORCROCK2PTGDR2 | |
| SCHEMBL2489968 | 0.88 | ALDH1A1 (0.42) | ALDH1A1PKMRORCROCK2PTGDR2 | |
| SCHEMBL2316452 | 0.87 | ALDH1A1 (0.50) | ALDH1A1PKMRORCROCK2PTGDR2 | |
| SCHEMBL2487147 | 0.86 | RORC (0.45) | ALDH1A1PKMRORCPTGDR2GCK | |
| SCHEMBL2485747 | 0.86 | ALDH1A1 (0.41) | ALDH1A1PKMRORCROCK2PTGDR2 | |
| SCHEMBL2314978 | 0.86 | NPC1 (0.42) | ALDH1A1PKMRORCKDM4EMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2559455-A1 | Heteroaryl derivatives as DGAT1 inhibitors | Novartis AG (CH) | 2013-02-20 | — | — | EP | disclosed |
| EP-2548618-A2 | Organic compounds | Novartis AG (CH) | 2013-01-23 | — | — | EP | disclosed |
| EP-2380631-A1 | Heteroaryl derivatives as DGAT1 inhibitors | Novartis AG (CH) | 2011-10-26 | — | — | EP | disclosed |