Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | GOT1 | P17174 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | DHPS | P49366 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.33 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.33 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 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 | |
|---|---|---|---|---|
| SCHEMBL5750791 | 0.81 | SLC6A2 (0.37) | ADRB2ADRB1ADRB3GPR84SLC6A2 | |
| SCHEMBL3097296 | 0.79 | RECQL (0.44) | SLC6A4 | |
| SCHEMBL9055052 | 0.76 | HTR6 (0.39) | HTR6AHRADRB2ADRB1ADRB3 | |
| Trifluoroacetic Acid SCHEMBL5923801 | 0.74 | CACNA1B (0.37) | ADRB2ADRB1ADRB3SLC6A2HTR1B | |
| SCHEMBL17995259 | 0.69 | ALDH1A1 (0.44) | HTR6CYP2D6 | |
| SCHEMBL5150779 | 0.68 | AHR (0.41) | HTR6AHRADRB1GPR84CYP2D6 | |
| SCHEMBL10372813 | 0.68 | HTR6 (0.43) | HTR6AHRGPR84PIP4K2APIP4K2B | |
| SCHEMBL29777154 | 0.68 | HTR6 (0.43) | HTR6AHRGPR84PIP4K2APIP4K2B | |
| SCHEMBL10502553 | 0.67 | GPR84 (0.57) | AHRGPR84CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL28021860 | 0.67 | NAMPT (0.46) | HTR6AHRSLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5545744-A | Cyano naphthalene compounds | AGOURON PHARMACEUTICALS, INC. (US) | 1996-08-13 | — | — | US | disclosed |
| US-5498727-A | Preparation of benzindole compounds from naphthalene compounds | AGOURON PHARMACEUTICALS, INC. (US) | 1996-03-12 | — | — | US | disclosed |
| WO-1996002502-A1 | PREPARATION OF BENZINDOLE COMPOUNDS FROM NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS, INC. (US) | 1996-02-01 | — | — | WO | disclosed |