Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 2/20 | 0.39 |
| ▸ | IDH1 | O75874 | 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 | 0.98 | KEAP1 (0.48) | KEAP1POLBALDH1A1TSHRLMNA | |
| SCHEMBL4553200 | 0.82 | HSD11B1 (0.43) | IDH1 | |
| SCHEMBL4553795 | 0.81 | NAMPT (0.44) | NAMPTRIPK1HDAC3 | |
| SCHEMBL4553128 | 0.78 | NAMPT (0.45) | POLBALDH1A1TSHRNPSR1NAMPT | |
| SCHEMBL324443 | 0.76 | CHRM2 (0.39) | LMNASMN1; SMN2BCHENAMPTHDAC3 | |
| SCHEMBL27872842 | 0.76 | HDAC3 (0.43) | TSHRLMNAMAPK1SMN1; SMN2NAMPT | |
| SCHEMBL304994 | 0.76 | HDAC3 (0.43) | POLBALDH1A1TSHRTP53SMN1; SMN2 | |
| SCHEMBL29950507 | 0.76 | HDAC3 (0.43) | POLBALDH1A1TSHRTP53SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7007436 | 0.74 | HDAC3 (0.43) | POLBALDH1A1TSHRTP53SMN1; SMN2 | |
| SCHEMBL305168 | 0.74 | HDAC3 (0.43) | ALDH1A1TSHRLMNACYP3A4MAPK1 |
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 |