Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.77 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.54 |
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | PHGDH | O43175 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3401971 | 0.84 | SMN1; SMN2 (0.55) | SMN1; SMN2AKR1C3PHGDHHPGDRAB9A | |
| SCHEMBL20976186 | 0.84 | SMN1; SMN2 (0.72) | SMN1; SMN2CYP2C9CYP2C19AKR1C3PHGDH | |
| SCHEMBL16464172 | 0.84 | SMN1; SMN2 (0.55) | SMN1; SMN2CYP2C9CYP2C19HPGDRAB9A | |
| SCHEMBL13852070 | 0.84 | SMN1; SMN2 (0.72) | SMN1; SMN2CYP2C9CYP2C19AKR1C3PHGDH | |
| Hydrochloric Acid SCHEMBL4162815 | 0.83 | SMN1; SMN2 (0.70) | SMN1; SMN2CYP2C9CYP2C19AKR1C3PHGDH | |
| SCHEMBL29005260 | 0.81 | SMN1; SMN2 (0.68) | SMN1; SMN2CYP2C9CYP2C19AKR1C3PHGDH | |
| SCHEMBL13852072 | 0.81 | SMN1; SMN2 (0.68) | SMN1; SMN2CYP2C9CYP2C19AKR1C3PHGDH | |
| SCHEMBL15023275 | 0.81 | SMN1; SMN2 (0.56) | SMN1; SMN2HPGDTSHRLMNARAB9A | |
| SCHEMBL18390243 | 0.81 | CHRM1 (0.58) | SMN1; SMN2HSD11B1CNR1HPGD | |
| SCHEMBL20976128 | 0.80 | SMN1; SMN2 (0.67) | SMN1; SMN2CYP2C9CYP2C19AKR1C3PHGDH |
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 |
|---|---|---|---|---|---|---|---|
| EP-3187497-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2017-07-05 | — | — | EP | disclosed |