Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | MARS1 | P56192 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | EDNRB | P24530 | 1/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3583637 | 0.82 | AR (0.50) | PTGS1PTGS2HSD11B1PDK2AR | |
| SCHEMBL15286936 | 0.80 | ALOX5 (0.38) | AHRPTGS1PTGS2ALDH1A1PDK2 | |
| SCHEMBL435211 | 0.78 | AHR (0.48) | AHRHSD11B1SRD5A2ALDH1A1TP53 | |
| SCHEMBL432623 | 0.78 | AHR (0.52) | AHRHSD11B1SRD5A2ALDH1A1TP53 | |
| SCHEMBL5198912 | 0.77 | ALOX5 (0.41) | ALDH1A1PDK2TP53NPC1RAB9A | |
| SCHEMBL101479 | 0.77 | PDK2 (0.31) | AHRPDK2 | |
| SCHEMBL5261997 | 0.76 | PDK2 (0.40) | PDK2HPGDMAPT | |
| SCHEMBL15638417 | 0.75 | AR (0.38) | PDK2AR | |
| SCHEMBL15636311 | 0.75 | AHR (0.48) | AHRHSD11B1SRD5A2ALDH1A1TP53 | |
| SCHEMBL15637705 | 0.74 | ALDH1A1 (0.39) | ALDH1A1PDK2NPC1RAB9ASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2903440-A1 | HETEROCYCLIC COMPOUNDS AS PESTICIDES | Bayer CropScience AG (DE) | 2015-08-12 | — | — | EP | disclosed |
| WO-2014053450-A1 | HETEROCYCLIC COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2014-04-10 | — | — | WO | disclosed |