Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.37 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 4/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 4/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.34 |
| ▸ | FEN1 | P39748 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | IL2 | P60568 | 1/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26802110 | 0.88 | S1PR1 (0.47) | S1PR1TGFBR1ACVR1KCNH2FPR2 | |
| SCHEMBL19986374 | 0.87 | S1PR1 (0.49) | S1PR1TGFBR1ACVR1KCNH2FPR2 | |
| SCHEMBL9291266 | 0.86 | KDM1A (0.38) | FPR2PDE4AKDM1ACYP3A4CYP2C9 | |
| SCHEMBL172438 | 0.86 | ESR2 (0.42) | S1PR1TGFBR1ACVR1KCNH2FPR2 | |
| SCHEMBL12437068 | 0.84 | ESR2 (0.41) | S1PR1TGFBR1ACVR1KCNH2FPR2 | |
| SCHEMBL18287662 | 0.84 | KDM1A (0.38) | S1PR1TGFBR1ACVR1KCNH2KDM1A | |
| SCHEMBL18712356 | 0.83 | CYP3A4 (0.48) | S1PR1TGFBR1ACVR1KCNH2FPR2 | |
| SCHEMBL9291443 | 0.83 | FPR2 (0.37) | FPR2PDE4AKDM1A | |
| SCHEMBL17614852 | 0.82 | FPR2 (0.37) | S1PR1TGFBR1ACVR1KCNH2FPR2 | |
| SCHEMBL9291245 | 0.82 | PDE4A (0.34) | FPR2PDE4APDE4BPDE4CPDE4D |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5356563-A | Two plate electrooptical cell | HOFFMANN-LA ROCHE INC. (US) | 1994-10-18 | — | — | US | disclosed |
| US-5244597-A | Liquid crystalline mixtures having a chiral tilted smectic phase | HOFFMANN-LA ROCHE INC. (US) | 1993-09-14 | — | — | US | disclosed |
| EP-0343487-A1 | Cyclohexyl esters of alpha-fluoro/carboxylic acids | F. HOFFMANN-LA ROCHE AG (CH) | 1989-11-29 | — | — | EP | disclosed |