Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.51 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.51 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.51 |
| ▸ | AGXT | P21549 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | CTRC | Q99895 | 2/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1272861 | 0.79 | CYP2A6 (0.55) | CA2CYP2A6ASIC3LOXL2AGXT | |
| SCHEMBL1272859 | 0.79 | CYP2A6 (0.55) | CA2CYP2A6ASIC3LOXL2AGXT | |
| SCHEMBL329294 | 0.76 | CA2 (0.71) | CA2CYP2A6ASIC3LOXL2AKR1B1 | |
| SCHEMBL19551366 | 0.75 | CYP2A6 (0.50) | CA2CYP2A6ASIC3LOXL2AGXT | |
| SCHEMBL1416155 | 0.75 | CA2 (0.65) | CA2CYP2A6ASIC3LOXL2AKR1B1 | |
| SCHEMBL329449 | 0.74 | CA2 (0.69) | CA2CYP2A6ASIC3LOXL2AKR1B1 | |
| SCHEMBL9350079 | 0.74 | CA2 (0.54) | CA2CYP2A6ASIC3LOXL2AGXT | |
| SCHEMBL25119616 | 0.73 | CA2 (0.67) | CA2CYP2A6ASIC3LOXL2AKR1B1 | |
| SCHEMBL743918 | 0.73 | CA2 (0.67) | CA2CYP2A6ASIC3LOXL2AKR1B1 | |
| SCHEMBL792780 | 0.73 | CA2 (1.00) | CA2CA1CA9 |
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-7381728-B2 | Piperazine derivatives useful for the treatment of gastrointestinal disorders | GLAXO GROUP LIMITED (GB) | 2008-06-03 | — | — | US | disclosed |