Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 4/20 | 0.42 |
| ▸ | CARM1 | Q86X55 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.40 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL25223676 | 0.94 | ASIC3 (0.44) | HSD17B3CARM1AKR1C3ABHD6ASIC3 | |
| SCHEMBL383295 | 0.87 | HSD17B3 (0.40) | HSD17B3AKR1C3ABHD6ASIC3PNMT | |
| SCHEMBL30915985 | 0.82 | MAOA (0.48) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL14100852 | 0.76 | NR1H3 (0.49) | — | |
| SCHEMBL30296926 | 0.73 | EED (0.50) | HSD17B3CARM1AKR1C3ASIC3GRIN2D | |
| SCHEMBL28466427 | 0.73 | EED (0.50) | HSD17B3CARM1AKR1C3ASIC3GRIN2D | |
| SCHEMBL29867906 | 0.72 | MEN1 (0.38) | RAB9AMAPT | |
| SCHEMBL27225510 | 0.72 | NAMPT (0.40) | CARM1PRMT5GRIN2BFAAH | |
| SCHEMBL25224013 | 0.72 | MEN1 (0.38) | RAB9AMAPT | |
| SCHEMBL29867772 | 0.72 | NAMPT (0.40) | CARM1PRMT5GRIN2BFAAH |
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 |