Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | COMT | P21964 | 1/20 | 0.30 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL14648803 | 0.98 | PTGS2 (0.39) | PTGS2PTGS1ACHEGCGRMAPK14 | |
| SCHEMBL17570168 | 0.87 | ACHE (0.46) | PTGS2PTGS1ACHEGCGRMAPK14 | |
| SCHEMBL172423 | 0.85 | ACHE (0.48) | PTGS2PTGS1ACHEGCGRMAPK14 | |
| SCHEMBL9926823 | 0.84 | PDE3B (0.35) | PTGS2PTGS1RPS6KA3PDK2NPC1 | |
| SCHEMBL20029560 | 0.79 | PTGS2 (0.51) | PTGS2PTGS1ACHETDP1RPS6KA3 | |
| SCHEMBL4549715 | 0.79 | PTGS2 (0.40) | PTGS2PTGS1ACHEGCGRMAPK14 | |
| SCHEMBL17548830 | 0.79 | PTGS2 (0.40) | PTGS2PTGS1ACHEGCGRMAPK14 | |
| SCHEMBL20029720 | 0.79 | PTGS2 (0.51) | PTGS2PTGS1ACHETDP1RPS6KA3 | |
| SCHEMBL14211939 | 0.78 | PTGS2 (0.39) | PTGS2PTGS1ACHETDP1RPS6KA3 | |
| SCHEMBL10000685 | 0.78 | ESR1 (0.40) | RPS6KA3 |
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-2016096084-A1 | LIQUID-CRYSTALLINE MEDIUM AND HIGH-FREQUENCY COMPONENTS COMPRISING SAME | MERCK PATENT GMBH (DE) | 2016-06-23 | — | — | WO | disclosed |