Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 10/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.49 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | GCGR | P47871 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4147998 | 0.87 | PTGS2 (0.50) | PTGS2PTGS1RPS6KA3ACHEBACE1 | |
| SCHEMBL7924450 | 0.85 | PTGS2 (0.49) | PTGS2PTGS1RPS6KA3ACHEBACE1 | |
| SCHEMBL4934640 | 0.83 | SENP1 (0.42) | RPS6KA3 | |
| SCHEMBL7077947 | 0.83 | DHODH (0.40) | PTGS2PTGS1RPS6KA3ACHEBACE1 | |
| SCHEMBL12011032 | 0.81 | PTGS2 (0.57) | PTGS2PTGS1RPS6KA3ACHEBACE1 | |
| SCHEMBL9318422 | 0.80 | GCGR (0.38) | PTGS2PTGS1BACE1GCGRMAPK14 | |
| SCHEMBL9319089 | 0.79 | GRM2 (0.36) | PTGS2PTGS1ACHENFE2L2PDE3B | |
| SCHEMBL172423 | 0.79 | ACHE (0.48) | PTGS2PTGS1RPS6KA3ACHENFE2L2 | |
| SCHEMBL9318498 | 0.77 | RARB (0.40) | BACE1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1754918 | 0.77 | PTGS2 (0.42) | PTGS2PTGS1RPS6KA3ACHEBACE1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5292454-A | Trifluorotoluene compounds, and a liquid crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-03-08 | — | — | US | disclosed |