Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 10/20 | 0.33 |
| ▸ | HTR6 | P50406 | 2/20 | 0.32 |
| ▸ | CCKAR | P32238 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4424130 | 0.94 | ESR1 (0.34) | ESR1PTGDR2 | |
| SCHEMBL1833794 | 0.90 | PTGDR2 (0.34) | PTGDR2CCKARMMP2MMP9MMP8 | |
| SCHEMBL2411210 | 0.89 | HTR6 (0.38) | HTR6MMP9MMP8MMP13 | |
| SCHEMBL2411045 | 0.89 | PTGER2 (0.33) | PTGDR2HTR6 | |
| SCHEMBL4420273 | 0.88 | HTR6 (0.36) | PTGDR2HTR6CCKAR | |
| SCHEMBL1834429 | 0.88 | PTGDR2 (0.32) | PTGDR2CCKAR | |
| SCHEMBL4570003 | 0.88 | TAS2R14 (0.35) | PTGDR2MMP2MMP9MMP8MMP13 | |
| SCHEMBL2408899 | 0.87 | PTGDR2 (0.30) | PTGDR2 | |
| SCHEMBL2407589 | 0.87 | MET (0.39) | PTGDR2HTR6CCKAR | |
| SCHEMBL2413762 | 0.87 | SLC6A9 (0.35) | PTGDR2HTR6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2364979-A1 | Pyrrole compounds | Takeda Pharmaceutical Company Limited (JP) | 2011-09-14 | — | — | EP | disclosed |
| EP-2114917-A2 | PYRROLE COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008108380-A2 | PYRROLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-12 | — | — | WO | disclosed |