Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | GALR1 | P47211 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27925958 | 0.86 | CYP2A6 (0.58) | CYP2A6SCN9AMETAP2CHRNB4CHRNA3 | |
| SCHEMBL4445051 | 0.79 | TDO2 (0.44) | CNR2CYP2A6SCN9APTGES2AHR | |
| SCHEMBL1032858 | 0.78 | METAP2 (0.44) | CYP2A6IDO1METAP2CHRNB4CHRNA3 | |
| SCHEMBL29489437 | 0.76 | CYP2A6 (0.68) | CNR2CYP2A6NOTUMIDO1BCL2L1 | |
| SCHEMBL1250242 | 0.76 | CYP2A6 (0.68) | CNR2CYP2A6NOTUMIDO1BCL2L1 | |
| SCHEMBL8307816 | 0.76 | MAP4K4 (0.50) | CNR2CYP2A6SCN9APTGES2AHR | |
| SCHEMBL8817721 | 0.76 | ACHE (0.42) | CNR2CYP2A6SCN9APTGES2AHR | |
| SCHEMBL4452887 | 0.75 | AHR (0.69) | CNR2AHRCNR1DHODH | |
| Ammonia Solution, Strong SCHEMBL28700448 | 0.74 | CYP2A6 (0.65) | CNR2CYP2A6NOTUMIDO1BCL2L1 | |
| SCHEMBL19607480 | 0.74 | BACE1 (0.42) | CYP2A6METAP2CHRNB4CHRNA3BCL2L1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005019200-A2 | ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |