Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.55 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.54 |
| ▸ | TUBB | P07437 | 1/20 | 0.54 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.54 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.54 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.54 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.54 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.54 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.54 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.54 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.54 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.54 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.54 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.54 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.54 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.54 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9060980 | 1.00 | PTGS1 (0.55) | PTGS1PTGS2TUBB4ATUBBTUBA3C | |
| SCHEMBL9062455 | 0.93 | AHR (0.58) | PTGS1PTGS2TUBB4ATUBBTUBA3C | |
| SCHEMBL9062453 | 0.93 | AHR (0.58) | PTGS1PTGS2TUBB4ATUBBTUBA3C | |
| SCHEMBL9061595 | 0.90 | AHR (0.55) | PTGS1PTGS2CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL9061588 | 0.90 | AHR (0.55) | PTGS1PTGS2CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL2056113 | 0.89 | L3MBTL1 (0.50) | CYP1A1CYP1B1MEN1KMT2AMAPT | |
| SCHEMBL9060828 | 0.89 | AHR (0.54) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL9062305 | 0.89 | AHR (0.54) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL9062300 | 0.89 | AHR (0.54) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL9060836 | 0.89 | AHR (0.54) | CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5536442-A | ELECTROOPTICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-16 | — | — | US | disclosed |
| US-5324449-A | Substituted phenyl trifluoromethyl ethers | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-06-28 | — | — | US | disclosed |
| EP-0334911-B1 | SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS | MERCK PATENT GmbH (DE) | 1993-02-10 | — | — | EP | disclosed |
| EP-0334911-A1 | SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS | MERCK PATENT GmbH (DE) | 1989-10-04 | — | — | EP | disclosed |