Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.42 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 2/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | CPS1 | P31327 | 3/20 | 0.39 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.38 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.38 |
| ▸ | UBE2M | P61081 | 1/20 | 0.38 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4438624 | 0.82 | KDM4E (0.41) | KDM4EHSP90B1TRAP1SMN1; SMN2HPGD | |
| SCHEMBL323401 | 0.75 | BCL9 (0.40) | TAS1R3TAS1R1TAS1R2ALDH1A1HDAC3 | |
| SCHEMBL4552418 | 0.75 | P2RX4 (0.45) | SMN1; SMN2ALDH1A1HPGDHDAC3 | |
| SCHEMBL4438644 | 0.75 | HDAC1 (0.42) | KDM4ETRAP1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL4553379 | 0.75 | HSD17B14 (0.43) | HSP90B1TRAP1 | |
| SCHEMBL28437625 | 0.73 | TRPA1 (0.43) | KDM4ESMN1; SMN2ALDH1A1HPGDHDAC3 | |
| SCHEMBL4554015 | 0.73 | HCRTR1 (0.40) | TAS1R3TAS1R1TAS1R2ALDH1A1HPGD | |
| SCHEMBL29642121 | 0.73 | TRPA1 (0.43) | KDM4ESMN1; SMN2ALDH1A1HPGDHDAC3 | |
| SCHEMBL29950507 | 0.73 | HDAC3 (0.43) | KDM4ETAS1R3TAS1R1TAS1R2SMN1; SMN2 | |
| SCHEMBL304994 | 0.73 | HDAC3 (0.43) | KDM4ETAS1R3TAS1R1TAS1R2SMN1; SMN2 |
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 |