Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 4/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PGK1 | P00558 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.39 |
| ▸ | AGXT | P21549 | 1/20 | 0.39 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.38 |
| ▸ | PRSS12 | P56730 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.36 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15648882 | 0.88 | RORC (0.57) | RORCCYP2A6ADRB2HRH4PGK1 | |
| SCHEMBL16640805 | 0.80 | RORC (0.66) | RORC | |
| SCHEMBL16633015 | 0.76 | RORC (0.64) | RORC | |
| SCHEMBL16475344 | 0.75 | RORC (0.81) | RORC | |
| SCHEMBL16461502 | 0.71 | CYP1A2 (0.45) | RORCCYP2A6ADRB2HRH4ADRA1D | |
| SCHEMBL16655564 | 0.70 | RORC (0.59) | RORC | |
| SCHEMBL28201461 | 0.69 | CYP2A6 (0.44) | RORCCYP2A6ADRB2ADRA1DAGXT | |
| SCHEMBL4961407 | 0.67 | CYP2A6 (0.69) | CYP2A6ADRB2ADRA1DAGXTASIC3 | |
| SCHEMBL12749518 | 0.67 | CYP1A2 (0.51) | RORCMAPK1 | |
| SCHEMBL28158505 | 0.67 | CTRC (0.39) | RORCCYP2A6ADRB2ADRA1DAGXT |
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 |
|---|---|---|---|---|---|---|---|
| CN-105829294-B | The quinolyl conditioning agent of ROR- γ-T being connect with methylene | 詹森药业有限公司 | 2018-11-09 | — | — | CN | disclosed |
| CN-105209453-B | The quinolyl conditioning agent of the methylene connection of ROR γ T | 詹森药业有限公司 | 2017-06-20 | — | — | CN | disclosed |