Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 7/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | FASN | P49327 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4565599 | 0.79 | KEAP1 (0.48) | NAMPTALDH1A1FASNNPSR1TSHR | |
| SCHEMBL4553143 | 0.78 | KEAP1 (0.50) | NAMPTALDH1A1NPSR1TSHRPOLB | |
| SCHEMBL4553795 | 0.76 | NAMPT (0.44) | NAMPT | |
| SCHEMBL17061192 | 0.76 | MGLL (0.43) | HTTPOLB | |
| Tetrahydrofuran SCHEMBL28323243 | 0.72 | HDAC3 (0.40) | ALDH1A1KDM4ETSHR | |
| SCHEMBL29950507 | 0.72 | HDAC3 (0.43) | NAMPTALDH1A1PKMKDM4ETSHR | |
| SCHEMBL304994 | 0.72 | HDAC3 (0.43) | NAMPTALDH1A1PKMKDM4ETSHR | |
| SCHEMBL27872842 | 0.72 | HDAC3 (0.43) | NAMPTKDM4EHTTTSHR | |
| Hydrochloric Acid SCHEMBL7007436 | 0.70 | HDAC3 (0.43) | NAMPTALDH1A1KDM4ETSHRPOLB | |
| SCHEMBL305168 | 0.70 | HDAC3 (0.43) | NAMPTALDH1A1KDM4ETSHR |
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 |