Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | FOS | P01100 | 1/20 | 0.48 |
| ▸ | JUN | P05412 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8569555 | 1.00 | BCHE (0.55) | BCHEKMT2AKDM4EMEN1GAA | |
| SCHEMBL8569560 | 0.96 | KMT2A (0.54) | BCHEKMT2AKDM4EMEN1GAA | |
| SCHEMBL15996560 | 0.87 | JUN (0.57) | BCHEKMT2AKDM4EMEN1GAA | |
| SCHEMBL1711135 | 0.86 | KDM4E (0.66) | BCHEKMT2AKDM4EMEN1LMNA | |
| SCHEMBL1711133 | 0.86 | KDM4E (0.66) | BCHEKMT2AKDM4EMEN1LMNA | |
| SCHEMBL4713549 | 0.84 | BCHE (0.55) | BCHEKMT2AKDM4EMEN1GAA | |
| SCHEMBL4713551 | 0.84 | BCHE (0.55) | BCHEKMT2AKDM4EMEN1GAA | |
| SCHEMBL23343707 | 0.82 | CYP3A4 (0.56) | BCHEKMT2AKDM4EMEN1LMNA | |
| SCHEMBL716895 | 0.82 | KMT2A (0.60) | BCHEKMT2AKDM4EMEN1LMNA | |
| SCHEMBL716894 | 0.82 | KMT2A (0.60) | BCHEKMT2AKDM4EMEN1LMNA |
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-0526642-B1 | TRITERPENE DERIVATIVE | SHIONOGI & CO (JP) | 1998-04-01 | — | — | EP | disclosed |
| US-5248807-A | Endothelin antagonists, treatment of cardiovascular disorders | SHIONOGI & CO., LTD. (JP) | 1993-09-28 | — | — | US | disclosed |
| EP-0526642-A1 | TRITERPENE DERIVATIVE | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1993-02-10 | — | — | EP | disclosed |