Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.33 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | FPR2 | P25090 | 4/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.30 |
| ▸ | FEN1 | P39748 | 1/20 | 0.30 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4549764 | 0.86 | S1PR1 (0.37) | S1PR1TGFBR1ACVR1KCNH2FPR2 | |
| SCHEMBL28918828 | 0.84 | FFAR2 (0.38) | S1PR1TGFBR1ACVR1KCNH2FPR2 | |
| SCHEMBL18234074 | 0.84 | CYP3A4 (0.31) | — | |
| SCHEMBL18085466 | 0.83 | S1PR1 (0.34) | S1PR1TGFBR1ACVR1KCNH2FPR2 | |
| SCHEMBL15681310 | 0.83 | S1PR1 (0.34) | S1PR1TGFBR1ACVR1KCNH2FPR2 | |
| SCHEMBL172438 | 0.81 | ESR2 (0.42) | S1PR1TGFBR1ACVR1KCNH2FPR2 | |
| SCHEMBL26802110 | 0.81 | S1PR1 (0.47) | S1PR1TGFBR1ACVR1KCNH2FPR2 | |
| SCHEMBL18287662 | 0.80 | KDM1A (0.38) | S1PR1TGFBR1ACVR1KCNH2KDM1A | |
| SCHEMBL12437068 | 0.80 | ESR2 (0.41) | S1PR1TGFBR1ACVR1KCNH2FPR2 | |
| SCHEMBL19986374 | 0.79 | S1PR1 (0.49) | S1PR1TGFBR1ACVR1KCNH2FPR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9822302-B2 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2017-11-21 | — | — | US | disclosed |
| US-20160333270-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2016-11-17 | — | — | US | disclosed |