Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL30519094 | 0.90 | HTT (0.40) | HTTSMN1; SMN2KDM4EHDAC3HSD17B3 | |
| SCHEMBL6168375 | 0.81 | HSD17B3 (0.49) | HDAC3HSD17B3NOTUMNAMPTMEN1 | |
| SCHEMBL29493251 | 0.81 | HDAC3 (0.41) | SMN1; SMN2KDM4EHDAC3HSD17B3NAMPT | |
| SCHEMBL15056964 | 0.81 | HDAC3 (0.41) | SMN1; SMN2KDM4EHDAC3HSD17B3NAMPT | |
| SCHEMBL5721697 | 0.81 | ALDH1A1 (0.41) | HTTSMN1; SMN2KDM4EHDAC3HSD17B3 | |
| SCHEMBL28245942 | 0.80 | HDAC3 (0.43) | HTTSMN1; SMN2KDM4EHDAC3HSD17B3 | |
| SCHEMBL304994 | 0.80 | HDAC3 (0.43) | SMN1; SMN2KDM4EHDAC3HSD17B3NOTUM | |
| SCHEMBL29950507 | 0.80 | HDAC3 (0.43) | SMN1; SMN2KDM4EHDAC3HSD17B3NOTUM | |
| SCHEMBL27872842 | 0.80 | HDAC3 (0.43) | HTTSMN1; SMN2KDM4EHDAC3HSD17B3 | |
| Hydrochloric Acid SCHEMBL991577 | 0.79 | HDAC3 (0.42) | HTTSMN1; SMN2KDM4EHDAC3HSD17B3 |
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 |