Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PREP | P48147 | 2/20 | 0.39 |
| ▸ | CELA1 | Q9UNI1 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15211490 | 0.82 | ABCB11 (0.36) | ESR1ESR2HTTKDM4ETP53 | |
| SCHEMBL15211425 | 0.81 | ABCB11 (0.35) | ESR1ESR2HTTKDM4ETP53 | |
| SCHEMBL15211201 | 0.81 | HTT (0.45) | ESR1ESR2HTTKDM4ETP53 | |
| SCHEMBL15211378 | 0.76 | CA2 (0.40) | ESR1ESR2ABCB11CNR2 | |
| SCHEMBL8438099 | 0.74 | HSD17B1 (0.47) | ESR1ESR2KDM4EGAAMAPT | |
| SCHEMBL15212672 | 0.73 | FFAR1 (0.45) | ESR1ESR2HTTKDM4ECNR2 | |
| SCHEMBL15211287 | 0.73 | KDM4E (0.38) | ESR1ESR2HTTKDM4ETP53 | |
| SCHEMBL15211431 | 0.72 | TP53 (0.35) | ESR1ESR2HTTTP53MAPT | |
| SCHEMBL15211500 | 0.72 | ESR1 (0.39) | ESR1ESR2KDM4ETP53MAPT | |
| SCHEMBL15211694 | 0.72 | IKBKB (0.36) | ESR1ESR2HTTKDM4EGAA |
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 |