Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 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 | |
|---|---|---|---|---|
| SCHEMBL436051 | 0.87 | KDM4E (0.36) | L3MBTL1KMT2AMEN1KDM4ECYP1A2 | |
| SCHEMBL433872 | 0.85 | MAOA (0.37) | HTTL3MBTL1KMT2AMEN1KDM4E | |
| SCHEMBL433873 | 0.85 | MAOA (0.37) | HTTL3MBTL1KMT2AMEN1KDM4E | |
| Hydrochloric Acid SCHEMBL435636 | 0.82 | HTT (0.48) | HTTL3MBTL1KMT2AMEN1KDM4E | |
| SCHEMBL432562 | 0.82 | NOS3 (0.40) | L3MBTL1KMT2AMEN1KDM4ECYP1A2 | |
| SCHEMBL435201 | 0.78 | SMPD1 (0.40) | CYP3A4MAOAMAOB | |
| SCHEMBL435202 | 0.78 | SMPD1 (0.40) | CYP3A4MAOAMAOB | |
| SCHEMBL10083367 | 0.77 | MET (0.38) | MAOAMAOB | |
| SCHEMBL15380757 | 0.77 | MET (0.38) | MAOAMAOB | |
| SCHEMBL434660 | 0.73 | ROCK2 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012012410-A2 | KAPPA OPIOID RECEPTOR AGONISTS | DR. REDDY'S LABORATORIES LTD. (IN) | 2012-01-26 | — | — | WO | disclosed |