Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 2/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 2/20 | 0.34 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.34 |
| ▸ | PTGES | O14684 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 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 | |
|---|---|---|---|---|
| SCHEMBL2411207 | 0.85 | HTR6 (0.39) | HTR6FFAR1KEAP1MMP8MMP3 | |
| SCHEMBL4566599 | 0.85 | RXFP1 (0.35) | HTR6ALDH1A1 | |
| SCHEMBL4566627 | 0.85 | ABCC9 (0.33) | HTR6KEAP1RORC | |
| SCHEMBL4422173 | 0.85 | HTR6 (0.42) | HTR6FFAR1KEAP1MMP8MMP3 | |
| SCHEMBL4566745 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL2411210 | 0.83 | HTR6 (0.38) | HTR6FFAR1KEAP1MMP8MMP3 | |
| SCHEMBL2411204 | 0.81 | ADAMTS4 (0.40) | HTR6KEAP1MMP8ARMMP13 | |
| SCHEMBL4569945 | 0.81 | ALDH1A1 (0.36) | ALDH1A1RORC | |
| SCHEMBL5002797 | 0.81 | HTR6 (0.40) | HTR6FFAR1KEAP1MMP8MMP3 | |
| SCHEMBL4566781 | 0.80 | — | — |
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-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 |