Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 7/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5236103 | 0.92 | CYP1A1 (0.36) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL5236095 | 0.92 | CYP1A1 (0.36) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL5236373 | 0.85 | DPP4 (0.40) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL5236382 | 0.85 | DPP4 (0.40) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL5238832 | 0.83 | DPP4 (0.43) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL5238822 | 0.83 | DPP4 (0.43) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL5232143 | 0.77 | KDM4E (0.37) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL7564209 | 0.77 | DPP4 (0.50) | ESR1ESR2KDM4EDPP4 | |
| Hydrochloric Acid SCHEMBL5237626 | 0.76 | DPP4 (0.51) | ESR1ESR2KDM4EDPP4 | |
| Hydrochloric Acid SCHEMBL5237614 | 0.76 | DPP4 (0.51) | ESR1ESR2KDM4EDPP4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1355886-A1 | FUSED HETEROCYCLIC COMPOUNDS | Takeda Chemical Industries, Ltd. (JP) | 2003-10-29 | — | — | EP | disclosed |
| WO-2002062764-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-08-15 | — | — | WO | disclosed |