Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CKS1B | P61024 | 1/20 | 0.40 |
| ▸ | SKP1 | P63208 | 1/20 | 0.40 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.38 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.38 |
| ▸ | KDM4D | Q6B0I6 | 2/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 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 | |
|---|---|---|---|---|
| SCHEMBL14599265 | 0.80 | ALOX15 (0.48) | ALOX15KDM1AMAOBEPHX2CKS1B | |
| SCHEMBL14599274 | 0.76 | CCR2 (0.52) | — | |
| SCHEMBL4876647 | 0.73 | NPC1 (0.46) | ALOX15RAB9AKDM1AMAOBKMT2A | |
| SCHEMBL4876658 | 0.73 | NPC1 (0.46) | ALOX15RAB9AKDM1AMAOBKMT2A | |
| SCHEMBL3591849 | 0.72 | GPR119 (0.53) | ALOX15KMT2ANAMPTGPR119MEN1 | |
| SCHEMBL23778929 | 0.72 | RAB9A (0.48) | RAB9AKMT2ANAMPTCYP17A1CYP19A1 | |
| SCHEMBL3208745 | 0.71 | ALDH1A1 (0.60) | RAB9AKDM1AMAOBEPHX2L3MBTL1 | |
| SCHEMBL3208739 | 0.71 | ALDH1A1 (0.60) | RAB9AKDM1AMAOBEPHX2L3MBTL1 | |
| SCHEMBL31206061 | 0.71 | NAMPT (0.52) | RAB9AKDM1AMAOBEPHX2CKS1B | |
| SCHEMBL14101094 | 0.71 | RAB9A (0.44) | RAB9ANAMPTCYP17A1CYP19A1ITGA4 |
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 |