Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3698481 | 0.75 | TAAR1 (0.52) | CYP2C19CYP1A2CYP2C9CYP3A4RECQL | |
| SCHEMBL3730292 | 0.74 | CYP2C19 (0.50) | CYP2C19CYP1A2CYP2C9CYP3A4RECQL | |
| SCHEMBL8013081 | 0.74 | ALDH1A1 (0.42) | CYP2C19CYP3A4TAAR1MAPK1HIF1A | |
| SCHEMBL9849577 | 0.73 | FDPS (0.58) | SLC6A2TAAR1LMNACYP2D6FDPS | |
| SCHEMBL11417037 | 0.72 | TAAR1 (0.48) | CYP2C19CYP1A2CYP2C9CYP3A4RECQL | |
| SCHEMBL3390149 | 0.72 | TAAR1 (0.59) | CYP2C19CYP1A2CYP2C9CYP3A4RECQL | |
| SCHEMBL13721736 | 0.71 | CYP1A2 (0.52) | CYP2C19CYP1A2CYP2C9CYP3A4RECQL | |
| SCHEMBL96456 | 0.71 | SLC6A2 (0.52) | CYP2C19CYP1A2CYP2C9CYP3A4RECQL | |
| SCHEMBL10435987 | 0.71 | MAPT (0.50) | CYP2C19CYP1A2CYP2C9CYP3A4RECQL | |
| SCHEMBL115909 | 0.71 | TAAR1 (0.56) | CYP2C19CYP1A2CYP2C9CYP3A4RECQL |
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-5817819-A | GONADOTROPIN-RELEASING HORMONE ANTAGONIST | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-10-06 | — | — | US | disclosed |