Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 2/20 | 0.45 |
| ▸ | PNMT | P11086 | 4/20 | 0.44 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30301755 | 0.85 | MAP4K1 (0.55) | MELKPNMTMAP4K1ADRA2AADRA2B | |
| SCHEMBL1077814 | 0.85 | MAP4K1 (0.55) | MELKPNMTMAP4K1ADRA2AADRA2B | |
| SCHEMBL16440960 | 0.81 | ALDH1A1 (0.54) | — | |
| SCHEMBL25243011 | 0.80 | MAP4K1 (0.49) | MELKPNMTMAP4K1 | |
| SCHEMBL30745003 | 0.80 | MELK (0.52) | MELKPNMTADRA2AADRA2BADRA2C | |
| SCHEMBL308122 | 0.80 | MELK (0.52) | MELKPNMTADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL1017102 | 0.78 | MELK (0.51) | MELKPNMTADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL29903254 | 0.78 | MELK (0.51) | MELKPNMTADRA2AADRA2BADRA2C | |
| SCHEMBL3248558 | 0.77 | MELK (0.56) | MELKPNMTADRA2AADRA2BADRA2C | |
| SCHEMBL12608360 | 0.76 | HTR2C (0.50) | MELKMAP4K1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501803-B1 | TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2008-08-13 | — | — | EP | disclosed |
| US-7166614-B2 | Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-01-23 | — | — | US | disclosed |
| US-7166614-B2 | Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-01-23 | — | — | US | disclosed |