Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | GCGR | P47871 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | COMT | P21964 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL803112 | 0.84 | PTGS2 (0.41) | PTGS2PTGS1ACHETDP1RPS6KA3 | |
| SCHEMBL172423 | 0.84 | ACHE (0.48) | PTGS2PTGS1ACHETDP1RPS6KA3 | |
| SCHEMBL803431 | 0.83 | PTGS2 (0.40) | PTGS2PTGS1ACHETDP1RPS6KA3 | |
| SCHEMBL17548830 | 0.83 | PTGS2 (0.40) | PTGS2PTGS1ACHETDP1RPS6KA3 | |
| SCHEMBL4549715 | 0.83 | PTGS2 (0.40) | PTGS2PTGS1ACHETDP1RPS6KA3 | |
| SCHEMBL17570168 | 0.81 | ACHE (0.46) | PTGS2PTGS1ACHETDP1RPS6KA3 | |
| SCHEMBL14211939 | 0.81 | PTGS2 (0.39) | PTGS2PTGS1ACHETDP1RPS6KA3 | |
| SCHEMBL25565397 | 0.80 | PTGS2 (0.34) | PTGS2PTGS1ACHEPOLB | |
| SCHEMBL802766 | 0.79 | PTGS2 (0.38) | PTGS2PTGS1ACHETDP1RPS6KA3 | |
| SCHEMBL17570165 | 0.78 | AKR1C3 (0.45) | PTGS2PTGS1RPS6KA3PDE3BPDE3A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3081620-A2 | LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME | Merck Patent GmbH (DE) | 2016-10-19 | — | — | EP | disclosed |