Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 3/20 | 0.35 |
| ▸ | AGXT | P21549 | 2/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL794861 | 0.81 | ALDH1A1 (0.43) | ALDH1A1TSHRHSD17B10LMNAL3MBTL1 | |
| SCHEMBL345646 | 0.71 | ADORA3 (0.48) | ALDH1A1MAPTLMNANPC1CYP1A2 | |
| SCHEMBL2091553 | 0.70 | ALDH1A1 (0.46) | ALDH1A1PTGDR2MAPTIDO1AGXT | |
| SCHEMBL1106684 | 0.67 | IDO1 (0.58) | ALDH1A1MAPTIDO1AGXTHSP90AB1 | |
| SCHEMBL17028848 | 0.67 | ALDH1A1 (0.50) | ALDH1A1PTGDR2IDO1AGXTHSP90AB1 | |
| SCHEMBL5464791 | 0.67 | ALDH1A1 (0.46) | ALDH1A1PTGDR2MAPTIDO1AGXT | |
| SCHEMBL17028967 | 0.64 | ALDH1A1 (0.50) | ALDH1A1MAPTHPGDHSD17B10LMNA | |
| SCHEMBL17028856 | 0.63 | HSP90AB1 (0.42) | ALDH1A1MAPTPRNPIDO1HSP90AB1 | |
| SCHEMBL3027076 | 0.63 | ALDH1A1 (1.00) | ALDH1A1HPGDLMNAL3MBTL1MAPK1 | |
| SCHEMBL11105432 | 0.63 | HSP90AB1 (0.42) | ALDH1A1MAPTIDO1HSP90AB1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015124606-A1 | N-SUBSTITUTED IMINO HETEROCYCLIC COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2015-08-27 | — | — | WO | disclosed |