Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B14 | Q9BPX1 | 4/20 | 0.43 |
| ▸ | TRAP1 | Q12931 | 7/20 | 0.41 |
| ▸ | HSP90B1 | P14625 | 6/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.40 |
| ▸ | MGLL | Q99685 | 2/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4438644 | 0.84 | HDAC1 (0.42) | TRAP1HSP90AA1HSD17B3 | |
| SCHEMBL4438624 | 0.83 | KDM4E (0.41) | TRAP1HSP90B1 | |
| SCHEMBL4552418 | 0.80 | P2RX4 (0.45) | HSD17B3 | |
| SCHEMBL4430782 | 0.75 | KDM4E (0.43) | TRAP1HSP90B1 | |
| SCHEMBL4430694 | 0.73 | AVPR2 (0.50) | HSP90AA1MGLLHSP90AB1 | |
| SCHEMBL27872842 | 0.72 | HDAC3 (0.43) | TRAP1HSP90B1HSP90AA1HSP90AB1HSD17B3 | |
| SCHEMBL304994 | 0.72 | HDAC3 (0.43) | HSD17B3 | |
| SCHEMBL29950507 | 0.72 | HDAC3 (0.43) | HSD17B3 | |
| Hydrochloric Acid SCHEMBL7007436 | 0.70 | HDAC3 (0.43) | HSD17B3 | |
| SCHEMBL29493257 | 0.70 | HDAC3 (0.43) | HSD17B3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2125741-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR | Janssen Pharmaceutica, N.V. (BE) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008109336-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-09-12 | — | — | WO | disclosed |