Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16952192 | 0.86 | CYP2D6 (0.54) | CYP2D6HTTADRA2AADRA1AMEN1 | |
| SCHEMBL16961946 | 0.85 | CYP2D6 (0.49) | CYP2D6HTTADRA2AADRA1AMEN1 | |
| SCHEMBL16956218 | 0.84 | NQO1 (0.38) | HTTMEN1KMT2ANPSR1MAPT | |
| SCHEMBL16956232 | 0.81 | ADRA2A (0.44) | CYP2D6HTTADRA2AADRA1AKMT2A | |
| SCHEMBL16954509 | 0.80 | ACHE (0.34) | HTTADRA1AMAPK1NPSR1ACHE | |
| SCHEMBL16959273 | 0.79 | CSNK2A1 (0.38) | CYP2D6HTTMAPK1GAAHTR2A | |
| SCHEMBL16960908 | 0.79 | ALDH1A1 (0.41) | HTTMEN1KMT2AMAPK1CYP1A2 | |
| SCHEMBL16954897 | 0.79 | KCNH2 (0.35) | MEN1KMT2AHTR2ACYP1A2ALDH1A1 | |
| SCHEMBL16955958 | 0.78 | ADRA1A (0.45) | CYP2D6HTTADRA2AADRA1AMEN1 | |
| SCHEMBL16951297 | 0.78 | CYP2D6 (0.41) | CYP2D6HTTADRA2AADRA1AMEN1 |
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 |