Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 4/20 | 0.34 |
| ▸ | HTR7 | P34969 | 4/20 | 0.34 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9908241 | 0.87 | HRH4 (0.45) | ALDH1A1TDP1KDM4EL3MBTL1CYP1A2 | |
| SCHEMBL9945958 | 0.82 | ALDH1A1 (0.44) | ALDH1A1TDP1KDM4EL3MBTL1CYP1A2 | |
| SCHEMBL24869054 | 0.81 | CYP1A2 (0.42) | ALDH1A1TDP1KDM4EL3MBTL1CYP1A2 | |
| SCHEMBL25944306 | 0.81 | RXRA (0.45) | ALDH1A1KDM4EL3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL24869064 | 0.81 | ALDH1A1 (0.44) | ALDH1A1TDP1KDM4EL3MBTL1CYP1A2 | |
| SCHEMBL14456037 | 0.80 | ALDH1A1 (0.36) | ALDH1A1TDP1KDM4EL3MBTL1MEN1 | |
| SCHEMBL24869124 | 0.80 | ALOX5AP (0.39) | ALDH1A1TDP1KDM4EL3MBTL1MEN1 | |
| SCHEMBL21754757 | 0.80 | HTR2A (0.48) | HTR1AHTR7DRD2HTR6ADRA1D | |
| SCHEMBL765434 | 0.79 | GAA (0.43) | KDM4EL3MBTL1CYP1A2CYP2C19MEN1 | |
| SCHEMBL10918185 | 0.78 | PTGS1 (0.36) | ALDH1A1TDP1KDM4EMEN1KMT2A |
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-2922841-B1 | ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES | BRISTOL MYERS SQUIBB CO (US) | 2017-06-07 | — | — | EP | disclosed |