Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 5/20 | 0.41 |
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL2485003 | 0.96 | RORC (0.42) | RORCACHEMAPTALDH1A1PKM | |
| SCHEMBL2318514 | 0.85 | RORC (0.45) | RORCACHEMAPTALDH1A1PKM | |
| SCHEMBL2485723 | 0.85 | ACHE (0.45) | RORCACHEMAPTALDH1A1PKM | |
| SCHEMBL2485715 | 0.84 | MEN1 (0.44) | RORCACHEALDH1A1PKMKDM4E | |
| SCHEMBL2487593 | 0.83 | ALDH1A1 (0.46) | RORCACHEMAPTALDH1A1PKM | |
| SCHEMBL2314979 | 0.83 | ALDH1A1 (0.41) | RORCACHEMAPTALDH1A1PKM | |
| SCHEMBL2488112 | 0.83 | RORC (0.41) | RORCACHEMAPTALDH1A1PKM | |
| SCHEMBL2484976 | 0.82 | ALDH1A1 (0.45) | RORCACHEMAPTALDH1A1PKM | |
| SCHEMBL2321338 | 0.82 | ACHE (0.39) | RORCACHEMAPTALDH1A1PKM | |
| SCHEMBL2490686 | 0.81 | SMN1; SMN2 (0.45) | RORCMAPTALDH1A1PKMROCK2 |
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 |