Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 3/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL4292811 | 0.83 | SLC6A4 (0.51) | — | |
| SCHEMBL4288939 | 0.82 | TSHR (0.44) | CHRNB4CHRNA3SMN1; SMN2ALDH1A1 | |
| SCHEMBL4285849 | 0.81 | SLC6A4 (0.47) | CHRNB4CHRNA3HCRTR1HCRTR2OPRK1 | |
| SCHEMBL4291624 | 0.81 | HCRTR2 (0.42) | HCRTR2OPRK1 | |
| SCHEMBL4280120 | 0.79 | LMNA (0.40) | CHRNB4CHRNA3HCRTR1HCRTR2OPRK1 | |
| SCHEMBL4285494 | 0.78 | SLC6A3 (0.43) | KMT2A | |
| SCHEMBL4282512 | 0.78 | HCRTR2 (0.47) | SMN1; SMN2ALDH1A1CYP2C9CYP2C19KMT2A | |
| SCHEMBL4294068 | 0.77 | POLB (0.36) | CHRNB4CHRNA3SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL4291883 | 0.76 | SLC6A3 (0.46) | CHRNB4CHRNA3SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL4282256 | 0.73 | HCRTR2 (0.43) | HCRTR2 |
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-2009072643-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-11 | — | — | WO | disclosed |