Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CXCR2 | P25025 | 9/20 | 0.35 |
| ▸ | CXCR1 | P25024 | 6/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL18698969 | 0.76 | HDAC1 (0.43) | ALDH1A1NPC1GAAMAPTRAB9A | |
| SCHEMBL19778224 | 0.76 | CXCR2 (0.43) | CXCR2CXCR1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL14350432 | 0.73 | ALDH1A1 (0.52) | CHRNB2CHRNA4KDM4EALDH1A1PIK3CD | |
| SCHEMBL2169939 | 0.73 | FDFT1 (0.40) | CYP3A4BACE1AR | |
| SCHEMBL19778228 | 0.72 | KDM4E (0.37) | CHRNB2CHRNA4CXCR2CXCR1KDM4E | |
| SCHEMBL1492531 | 0.68 | NAMPT (0.46) | CXCR2CXCR1KDM4EALDH1A1 | |
| SCHEMBL795541 | 0.68 | MAPK1 (0.51) | KDM4ENPC1MAPTBACE1AR | |
| SCHEMBL27911279 | 0.68 | KDM4E (0.40) | CXCR2CXCR1KDM4EALDH1A1NPC1 | |
| SCHEMBL797424 | 0.68 | P4HTM (0.60) | KDM4EALDH1A1 | |
| SCHEMBL28154957 | 0.68 | PIK3CD (0.46) | KDM4EALDH1A1PIK3CDPIK3CAPIK3CB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018011747-A1 | POLYCYCLIC COMPOUNDS AS ROR-GAMMA MODULATORS | CADILA HEALTHCARE LIMITED (IN) | 2018-01-18 | — | — | WO | disclosed |