Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16950414 | 0.90 | CNR1 (0.41) | ALDH1A1CNR1CNR2MAPTPLA2G2A | |
| SCHEMBL16952497 | 0.86 | PLA2G2A (0.45) | ALDH1A1CNR1CNR2PLA2G2A | |
| SCHEMBL22945638 | 0.86 | ALDH1A1 (0.56) | ALDH1A1CNR1CNR2KMT2AMEN1 | |
| SCHEMBL16956598 | 0.85 | ALDH1A1 (0.43) | ALDH1A1KMT2AMEN1SMN1; SMN2TP53 | |
| SCHEMBL16960917 | 0.85 | ALDH1A1 (0.39) | ALDH1A1CNR1CNR2KMT2AMEN1 | |
| SCHEMBL16961469 | 0.84 | PTGS2 (0.49) | ALDH1A1CNR1CNR2CALM1PTGS2 | |
| SCHEMBL16962556 | 0.83 | ALDH1A1 (0.39) | ALDH1A1CNR1CNR2KMT2AMEN1 | |
| SCHEMBL16955022 | 0.83 | ALDH1A1 (0.35) | ALDH1A1CNR1CNR2KMT2AMEN1 | |
| SCHEMBL16951290 | 0.82 | KMT2A (0.46) | ALDH1A1KMT2AMEN1SMN1; SMN2NQO1 | |
| SCHEMBL16958869 | 0.82 | THRB (0.39) | ALDH1A1CNR1CNR2KMT2AMEN1 |
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-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |