Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25186181 | 0.81 | HSD17B3 (0.42) | HSD17B3ALDH1A1SLC6A19BACE1CYP2D6 | |
| SCHEMBL699462 | 0.80 | HSD17B3 (0.65) | HSD17B3ALDH1A1SLC6A19BACE1HSD11B1 | |
| SCHEMBL8900441 | 0.80 | HSD17B3 (0.65) | HSD17B3ALDH1A1SLC6A19BACE1HSD11B1 | |
| SCHEMBL709614 | 0.80 | HSD17B3 (0.65) | HSD17B3ALDH1A1SLC6A19BACE1HSD11B1 | |
| SCHEMBL28063918 | 0.79 | ALDH1A1 (0.54) | HSD17B3ALDH1A1SLC6A19BACE1HSD11B1 | |
| SCHEMBL854913 | 0.79 | APP (0.33) | — | |
| SCHEMBL11464066 | 0.76 | HSD17B3 (0.61) | HSD17B3ALDH1A1SLC6A19BACE1HSD11B1 | |
| SCHEMBL3998676 | 0.76 | NFE2L2 (0.61) | PKMMAPTLMNANFE2L2MAOA | |
| SCHEMBL28680695 | 0.76 | CYP1A2 (0.52) | CYP2D6CYP1B1RELALMNAMAOA | |
| SCHEMBL27767059 | 0.74 | BCL2L1 (0.47) | RELANFE2L2MAOAMAOB |
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-2519499-A1 | PESTICIDAL ARYLPYRROLIDINES | Bayer Intellectual Property GmbH (DE) | 2012-11-07 | — | — | EP | disclosed |
| WO-2011080211-A1 | PESTICIDAL ARYLPYRROLIDINES | BAYER CROPSCIENCE AG (DE) | 2011-07-07 | — | — | WO | disclosed |