Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.51 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.47 |
| ▸ | AGXT | P21549 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | GLS | O94925 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 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 | |
|---|---|---|---|---|
| SCHEMBL661440 | 0.84 | CYP2A6 (0.54) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL28394803 | 0.76 | CYP2A6 (0.55) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL661546 | 0.73 | CYP2A6 (0.71) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL14588797 | 0.72 | AGXT (0.42) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL9852785 | 0.72 | CYP2A6 (0.55) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL5323216 | 0.72 | CYP2A6 (0.50) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL79169 | 0.70 | CYP2A6 (0.67) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| Hydrochloric Acid SCHEMBL28235220 | 0.70 | CYP2A6 (0.61) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL12809120 | 0.70 | CYP1A2 (0.45) | CYP2A6 | |
| SCHEMBL23259460 | 0.70 | CYP2A6 (0.60) | CYP2A6ASIC3LOXL2AGXTADRB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1814848-B9 | 2,3,4-SUBSTITUTED-CYCLOPENTANONES AS THERAPEUTIC AGENTS | ALLERGAN INC (US) | 2011-12-21 | — | — | EP | disclosed |
| EP-1814848-B1 | 2,3,4-SUBSTITUTED-CYCLOPENTANONES AS THERAPEUTIC AGENTS | ALLERGAN INC (US) | 2010-07-28 | — | — | EP | disclosed |
| US-7183324-B2 | 2,3,4-substituted cyclopentanones as therapeutic agents | ALLERGAN, INC. (US) | 2007-02-27 | — | — | US | disclosed |
| US-7183324-B2 | 2,3,4-substituted cyclopentanones as therapeutic agents | ALLERGAN, INC. (US) | 2007-02-27 | — | — | US | disclosed |