Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABHD6 | Q9BV23 | 8/20 | 0.52 |
| ▸ | ESR1 | P03372 | 4/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.51 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.48 |
| ▸ | ACACB | O00763 | 2/20 | 0.46 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | TRPV3 | Q8NET8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7638156 | 0.89 | ABHD6 (0.50) | ABHD6ESR1ESR2NOTUMACACB | |
| SCHEMBL3885156 | 0.89 | ESR1 (0.51) | ABHD6ESR1ESR2NOTUMACACB | |
| SCHEMBL772680 | 0.86 | ABHD6 (0.69) | ABHD6ESR1ESR2ACACBRIPK1 | |
| SCHEMBL23553488 | 0.84 | ESR1 (0.52) | ABHD6ESR1ESR2NOTUM | |
| SCHEMBL30814383 | 0.84 | ESR1 (0.52) | ABHD6ESR1ESR2NOTUM | |
| SCHEMBL8177222 | 0.84 | ESR1 (0.56) | ABHD6ESR1ESR2PKMRIPK1 | |
| SCHEMBL7402991 | 0.83 | ESR1 (0.51) | ABHD6ESR1ESR2NOTUMALDH1A1 | |
| SCHEMBL772912 | 0.81 | ESR1 (0.49) | ABHD6ESR1ESR2NOTUMALDH1A1 | |
| SCHEMBL566389 | 0.79 | ESR1 (0.68) | ABHD6ESR1ESR2NOTUMALDH1A1 | |
| SCHEMBL30263783 | 0.79 | ESR1 (0.68) | ABHD6ESR1ESR2NOTUMALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112079775-A | Synthesis method of 5-trifluoromethyl isoquinoline-8-formic acid | 苏州康润医药有限公司 | 2020-12-15 | — | — | CN | claimed |
| CN-112079775-A | Synthesis method of 5-trifluoromethyl isoquinoline-8-formic acid | 苏州康润医药有限公司 | 2020-12-15 | — | — | CN | disclosed |
| 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 |
| US-6465485-B1 | SUCH AS 7-CYANO-2-(2-(1-(4-(2-INDOLYL)CARBOXAMIDO)CYCLO-HEXYL)ETHYL)-1,2,3,4 -TETRAHYDROISOQUINOLINE; ANTIPSYCHOTIC AGENTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-10-15 | — | — | US | disclosed |