Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 7/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.49 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | HEXA | P06865 | 1/20 | 0.44 |
| ▸ | HEXB | P07686 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 2/20 | 0.42 |
| ▸ | BRD2 | P25440 | 1/20 | 0.42 |
| ▸ | FABP3 | P05413 | 1/20 | 0.40 |
| ▸ | FABP4 | P15090 | 1/20 | 0.40 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GCGR | P47871 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6169007 | 0.80 | PTGS1 (0.50) | PTGS1PTGS2DHFRHEXAHEXB | |
| SCHEMBL20033936 | 0.76 | PTGS1 (0.46) | PTGS1PTGS2DHFRHEXAHEXB | |
| SCHEMBL8478232 | 0.73 | PTGS2 (0.60) | PTGS1PTGS2BRD4BRD2MLYCD | |
| Sulfamide SCHEMBL4639248 | 0.72 | PTPN1 (0.46) | PTGS1PTGS2DHFRHEXAHEXB | |
| SCHEMBL6169852 | 0.72 | MAPK10 (0.46) | PTGS1PTGS2DHFRHEXAHEXB | |
| SCHEMBL6167853 | 0.71 | PTGS2 (0.43) | PTGS1PTGS2DHFRHEXAHEXB | |
| SCHEMBL6168431 | 0.69 | PTGS2 (0.54) | PTGS2 | |
| SCHEMBL4028144 | 0.69 | PTGS2 (0.50) | PTGS1PTGS2 | |
| SCHEMBL8479988 | 0.68 | EDNRA (0.55) | PTGS2ALDH1A1 | |
| SCHEMBL12088082 | 0.68 | DHFR (0.44) | PTGS1PTGS2DHFRHEXAHEXB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0060426-B1 | N-(2,2,2-TRIFLUOROETHYL)-N-ALKYL-AZOLYLOXYACETIC-ACID AMIDES, THEIR PREPARATION AND USE AS HERBICIDES AND INTERMEDIATES FOR THEIR PREPARATION | BAYER AG (DE) | 1986-04-23 | — | — | EP | disclosed |
| US-4408055-A | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1983-10-04 | — | — | US | disclosed |
| EP-0081730-A1 | Process for the preparation of hetaryloxyacetamides | BAYER AG (DE) | 1983-06-22 | — | — | EP | disclosed |