Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.40 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | MAT2A | P31153 | 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 | |
|---|---|---|---|---|
| SCHEMBL9383732 | 0.76 | KMT2A (0.53) | SCN9AIDO1HSD11B1F2RL3NPC1 | |
| SCHEMBL28074068 | 0.74 | NPC1 (0.48) | SCN9AIDO1HSD11B1F2RL3NPC1 | |
| SCHEMBL28096149 | 0.74 | SCN9A (0.43) | SCN9AIDO1HSD11B1F2RL3NPC1 | |
| SCHEMBL9877667 | 0.72 | SCN9A (0.43) | SCN9AHSD11B1F2RL3NPC1RAB9A | |
| SCHEMBL22349829 | 0.70 | DYRK1A (0.42) | SCN9AIDO1HSD11B1F2RL3NPC1 | |
| SCHEMBL22349828 | 0.70 | NPC1 (0.48) | SCN9AIDO1HSD11B1F2RL3NPC1 | |
| SCHEMBL5139434 | 0.70 | ALDH1A1 (0.37) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL7887046 | 0.68 | TGFBR1 (0.41) | ALDH1A1PTGS1PTGS2HPGDPDK2 | |
| SCHEMBL24928765 | 0.68 | NOTUM (0.45) | IDO1HSD11B1HSP90AA1HSP90AB1PTGS2 | |
| SCHEMBL3846649 | 0.67 | HSD11B1 (0.41) | HSD11B1NPC1RAB9ASMN1; SMN2ALDH1A1 |
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-2903440-A1 | HETEROCYCLIC COMPOUNDS AS PESTICIDES | Bayer CropScience AG (DE) | 2015-08-12 | — | — | EP | disclosed |