Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.60 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.58 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.58 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.58 |
| ▸ | AGXT | P21549 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.44 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.44 |
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4847281 | 0.83 | CYP2A6 (0.56) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL14252998 | 0.82 | CYP2A6 (0.51) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL21400323 | 0.80 | CYP2A6 (0.53) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL5691284 | 0.79 | CYP2A6 (0.51) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL3413507 | 0.78 | CYP2A6 (0.64) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL4961407 | 0.77 | CYP2A6 (0.69) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL6253354 | 0.77 | CYP2A6 (0.55) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL23032173 | 0.76 | CYP2A6 (0.49) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL23032557 | 0.76 | CYP2A6 (0.49) | CYP2A6ASIC3LOXL2ADRB2 | |
| SCHEMBL15999435 | 0.75 | CYP2A6 (0.47) | CYP2A6ASIC3LOXL2ADRB2AGXT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7393865-B2 | Sleep inducing compounds and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-07-01 | — | — | US | disclosed |
| US-7345048-B2 | Heterocyclic compounds and uses thereof as D-alanyl-D-alanine ligase inhibitors | PLIVA D.D. (HR) | 2008-03-18 | — | — | US | disclosed |