Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7970309 | 0.76 | PKM (0.36) | PKMMEN1ALDH1A1CYP1A2THRB | |
| SCHEMBL27975165 | 0.74 | PKM (0.39) | PKMALDH1A1 | |
| SCHEMBL10355717 | 0.74 | PKM (0.39) | PKMALDH1A1 | |
| SCHEMBL30086069 | 0.72 | ALDH1A1 (0.33) | MEN1ALDH1A1CYP1A2THRBKMT2A | |
| SCHEMBL7441812 | 0.68 | PKM (0.34) | PKMALDH1A1 | |
| SCHEMBL453248 | 0.67 | PKM (0.39) | PKMALDH1A1 | |
| SCHEMBL1187857 | 0.67 | — | — | |
| SCHEMBL12806345 | 0.66 | ADH1B (0.35) | PKMALDH1A1 | |
| SCHEMBL27693427 | 0.65 | NAALAD2 (0.36) | PKMALDH1A1 | |
| SCHEMBL1750122 | 0.64 | PKM (0.34) | PKM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5668279-A | TREATMENT OF CENTRAL NERVOUS SYSTEM DIORDERS AND GASTROINTESTINAL DISORDERS | MERCK & CO., INC. (US) | 1997-09-16 | — | — | US | disclosed |
| EP-0666851-A4 | SUBSTITUTED PHTHALAZINONES AS NEROTENSIN ANTAGONISTS. | — | 1995-08-30 | — | — | EP | disclosed |
| EP-0666851-A1 | SUBSTITUTED PHTHALAZINONES AS NEROTENSIN ANTAGONISTS | MERCK & CO. INC. (US) | 1995-08-16 | — | — | EP | disclosed |
| WO-1994010151-A1 | SUBSTITUTED PHTHALAZINONES AS NEROTENSIN ANTAGONISTS | MERCK & CO., INC. (US) | 1994-05-11 | — | — | WO | disclosed |