Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 5/20 | 0.35 |
| ▸ | HTR1A | P08908 | 4/20 | 0.35 |
| ▸ | HTR1B | P28222 | 4/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.33 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15211424 | 0.76 | ESR1 (0.45) | CNR2ESR1ESR2ABCB11 | |
| SCHEMBL15211479 | 0.74 | HSD11B1 (0.43) | CA2CA1HSD11B1HTR1DHTR1A | |
| SCHEMBL15211763 | 0.74 | PPARD (0.40) | ESR1 | |
| SCHEMBL15211490 | 0.73 | ABCB11 (0.36) | CNR2ESR1ESR2ABCB11 | |
| SCHEMBL15212692 | 0.73 | ESR1 (0.35) | ESR1ESR2 | |
| SCHEMBL15211853 | 0.73 | MBOAT4 (0.43) | CA2ESR1ESR2 | |
| SCHEMBL15211206 | 0.72 | PPARD (0.39) | CA2ESR1ESR2 | |
| SCHEMBL15211425 | 0.72 | ABCB11 (0.35) | CNR2ESR1ESR2ABCB11 | |
| SCHEMBL15211431 | 0.70 | TP53 (0.35) | CA2CNR2ESR1ESR2ABCB11 | |
| SCHEMBL18255463 | 0.70 | CA1 (0.51) | CA2CA1HSD11B1HTR1DHTR1A |
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-2838891-A1 | AROMATIC RING COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-02-25 | — | — | EP | disclosed |
| WO-2013125732-A1 | AROMATIC RING COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-08-29 | — | — | WO | disclosed |