Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27777545 | 0.91 | SCD (0.47) | SCDHTTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27777551 | 0.90 | ALDH1A1 (0.37) | SCDHTTALDH1A1KDM4EMAPT | |
| SCHEMBL27777547 | 0.87 | SCD (0.48) | SCDALDH1A1KDM4EMAPTTSHR | |
| SCHEMBL27777529 | 0.84 | SCD (0.47) | SCDCYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL27756654 | 0.83 | SCD (0.49) | SCDPPARG | |
| SCHEMBL27957016 | 0.83 | SCD (0.48) | SCDALDH1A1KDM4EPKMSMN1; SMN2 | |
| SCHEMBL27756666 | 0.82 | SCD (0.51) | SCDHTTCYP2C19ALDH1A1MAPT | |
| SCHEMBL27777549 | 0.82 | SCD (0.34) | SCDALDH1A1KDM4EMAPTTSHR | |
| SCHEMBL28778995 | 0.81 | SCD (0.52) | SCDALDH1A1KDM4ESIRT2SIRT1 | |
| SCHEMBL27855654 | 0.81 | SCD (0.37) | SCDKDM4EPOLBPARP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102007123-B | Heterocyclic inhibitors of stearoyl-CoA desaturase | NOVARTIS AG | 2014-04-30 | — | — | CN | claimed |
| CN-102007123-B | Heterocyclic inhibitors of stearoyl-CoA desaturase | NOVARTIS AG | 2014-04-30 | — | — | CN | disclosed |
| CN-102007123-A | Heterocyclic inhibitors of stearoyl-CoA desaturase | NOVARTIS AG | 2011-04-06 | — | — | CN | disclosed |