Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL3 | Q96JM7 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.30 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.30 |
| ▸ | MAPK10 | P53779 | 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 | |
|---|---|---|---|---|
| SCHEMBL91524 | 0.91 | SMN1; SMN2 (0.42) | HTR6SMN1; SMN2L3MBTL3L3MBTL1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5331592 | 0.89 | SMN1; SMN2 (0.41) | HTR6SMN1; SMN2L3MBTL3L3MBTL1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1368786 | 0.89 | SMN1; SMN2 (0.41) | HTR6SMN1; SMN2L3MBTL3L3MBTL1ALDH1A1 | |
| SCHEMBL22527614 | 0.84 | HTR6 (0.53) | HTR6SMN1; SMN2L3MBTL3L3MBTL1ALDH1A1 | |
| SCHEMBL31209302 | 0.84 | HTR6 (0.53) | HTR6SMN1; SMN2L3MBTL3L3MBTL1ALDH1A1 | |
| SCHEMBL22527667 | 0.83 | HTR6 (0.56) | HTR6SMN1; SMN2L3MBTL3L3MBTL1ALDH1A1 | |
| SCHEMBL16837198 | 0.83 | SMN1; SMN2 (0.41) | HTR6SMN1; SMN2L3MBTL3L3MBTL1ALDH1A1 | |
| SCHEMBL15600760 | 0.79 | L3MBTL3 (0.41) | HTR6SMN1; SMN2L3MBTL3L3MBTL1ALDH1A1 | |
| SCHEMBL3056808 | 0.78 | — | — | |
| SCHEMBL3810047 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2800745-B1 | PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORY, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES | PHENEX PHARMACEUTICALS AG (DE) | 2020-02-12 | — | — | EP | disclosed |