Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6075905 | 0.78 | TSHR (0.35) | HTR1AHTR7 | |
| SCHEMBL6075092 | 0.78 | ACHE (0.35) | RAB9ASLC18A3PTGS2TRPV1 | |
| SCHEMBL6077152 | 0.78 | PDE7A (0.37) | NPC1RAB9ACYP1A2PTGS2LMNA | |
| SCHEMBL6503383 | 0.78 | MAOA (0.43) | RAB9ACYP1A2MAPK13MAPK12MAPK11 | |
| SCHEMBL315185 | 0.78 | LMNA (0.50) | NPC1RAB9ACYP1A2PTGS2LMNA | |
| SCHEMBL6075718 | 0.78 | AHR (0.48) | SLC6A3 | |
| SCHEMBL6075989 | 0.76 | ALOX5 (0.43) | KDM4ELMNAALOX5HTR1AHTR7 | |
| SCHEMBL435618 | 0.74 | LMNA (0.44) | NPC1RAB9ACYP1A2PTGS2LMNA | |
| SCHEMBL218474 | 0.74 | LMNA (0.44) | RAB9AKDM4ECYP1A2PTGS2LMNA | |
| SCHEMBL11829150 | 0.74 | SLC18A3 (0.45) | NPC1RAB9ASLC18A3CYP1A2PTGS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7045526-B2 | Substituted 4-amino-2-aryl-tetrahydroquinazolines, their preparation, their use and pharmaceutical preparations comprising them | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2006-05-16 | — | — | US | disclosed |