Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 9/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.42 |
| ▸ | GPR3 | P46089 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.40 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14744245 | 0.83 | RORC (0.45) | RORCSCN9A | |
| SCHEMBL30321020 | 0.83 | RORC (0.45) | RORCSCN9A | |
| SCHEMBL14746610 | 0.82 | RORC (0.53) | RORC | |
| SCHEMBL277877 | 0.80 | S1PR1 (0.48) | HSD11B1S1PR1SCN9AGPR3L3MBTL1 | |
| SCHEMBL5023995 | 0.79 | SLC1A5 (0.44) | GPR3L3MBTL1ALDH1A1MAPTRAB9A | |
| SCHEMBL20122641 | 0.79 | GPR3 (0.51) | HSD11B1S1PR1SCN9AGPR3L3MBTL1 | |
| SCHEMBL7701143 | 0.78 | ALDH1A1 (0.50) | HSD11B1S1PR1SCN9AL3MBTL1ALDH1A1 | |
| SCHEMBL14744265 | 0.78 | RORC (0.66) | RORC | |
| SCHEMBL14746593 | 0.77 | HSD17B10 (0.45) | RORCGPR3ALDH1A1MAPTRAB9A | |
| SCHEMBL3375982 | 0.77 | RORC (0.58) | RORC |
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-2017131156-A1 | CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | 東レ株式会社 | 2017-08-03 | — | — | WO | disclosed |