Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 7/20 | 0.36 |
| ▸ | NOS2 | P35228 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | METAP1 | P53582 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4457138 | 0.79 | CES1 (0.39) | NOS3NOS2CYP19A1CES1MAOA | |
| SCHEMBL16263341 | 0.76 | CYP2A6 (0.41) | ACHENOS3NOS2TSHRCES1 | |
| SCHEMBL1240296 | 0.74 | ACHE (0.59) | ACHETSHRHTR2ASMN1; SMN2CYP19A1 | |
| SCHEMBL29865183 | 0.74 | ACHE (0.59) | ACHETSHRHTR2ASMN1; SMN2CYP19A1 | |
| SCHEMBL13988401 | 0.74 | ACHE (0.39) | ACHENOS3NOS2TSHRHTR2A | |
| SCHEMBL7560591 | 0.74 | HTR2A (0.53) | ACHENOS3NOS2TSHRHTR2A | |
| SCHEMBL16425772 | 0.68 | MAOA (0.55) | ACHETSHRHTR2ACES1MAOA | |
| SCHEMBL12658227 | 0.67 | — | — | |
| SCHEMBL24190349 | 0.63 | SMN1; SMN2 (0.43) | ACHENOS3NOS2TSHRHTR2A | |
| SCHEMBL17151157 | 0.63 | IDO1 (0.46) | TSHR |
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-2009141096-A1 | SUBSTITUTED SPIRO-ISOXAZOLINES | BAYER CROPSCIENCE AG (DE) | 2009-11-26 | — | — | WO | disclosed |