Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | PPIA | P62937 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL28437625 | 0.76 | TRPA1 (0.43) | HDAC3ALDH1A1ATMPRMT5WDR77 | |
| SCHEMBL29642121 | 0.76 | TRPA1 (0.43) | HDAC3ALDH1A1ATMPRMT5WDR77 | |
| SCHEMBL2022309 | 0.75 | HSP90AA1 (0.54) | HCRTR1HCRTR2HSD11B1TAS1R3TAS1R1 | |
| SCHEMBL4552418 | 0.75 | P2RX4 (0.45) | HDAC3ALDH1A1ATMNAMPTHSD17B3 | |
| SCHEMBL4430782 | 0.73 | KDM4E (0.43) | TAS1R3TAS1R1TAS1R2HDAC3ALDH1A1 | |
| SCHEMBL27872842 | 0.73 | HDAC3 (0.43) | TAS1R3TAS1R1TAS1R2HDAC3NAMPT | |
| SCHEMBL29950507 | 0.73 | HDAC3 (0.43) | TAS1R3TAS1R1TAS1R2HDAC3ALDH1A1 | |
| SCHEMBL304994 | 0.73 | HDAC3 (0.43) | TAS1R3TAS1R1TAS1R2HDAC3ALDH1A1 | |
| SCHEMBL305168 | 0.71 | HDAC3 (0.43) | TAS1R3TAS1R1TAS1R2HDAC3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7007436 | 0.71 | HDAC3 (0.43) | TAS1R3TAS1R1TAS1R2HDAC3ALDH1A1 |
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 |