Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 1/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.33 |
| ▸ | TUBA1B | P68363 | 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 | |
|---|---|---|---|---|
| SCHEMBL16953880 | 0.86 | NQO1 (0.42) | NQO1AKR1C3AKR1C2HIF1AKDM4E | |
| SCHEMBL16951804 | 0.84 | TUBB4A (0.44) | NQO1HIF1AKDM4ENPSR1KMT2A | |
| SCHEMBL16953667 | 0.84 | CYP2D6 (0.45) | NPSR1MEN1KMT2AMAPTHTT | |
| SCHEMBL16954939 | 0.81 | KDM4E (0.45) | NQO1KDM4EMEN1KMT2ANPC1 | |
| SCHEMBL16957470 | 0.80 | MEN1 (0.40) | NQO1AKR1C3AKR1C2HIF1AKDM4E | |
| SCHEMBL16961720 | 0.80 | NQO1 (0.42) | NQO1AKR1C3AKR1C2KDM4EMEN1 | |
| SCHEMBL16956232 | 0.78 | ADRA2A (0.44) | KDM4ENPSR1KMT2AMAPTHTT | |
| SCHEMBL16953578 | 0.78 | NQO1 (0.43) | NQO1AKR1C3AKR1C2KDM4EMEN1 | |
| SCHEMBL16955556 | 0.78 | NQO1 (0.43) | NQO1AKR1C3AKR1C2HIF1AKDM4E | |
| SCHEMBL16954509 | 0.78 | ACHE (0.34) | NPSR1MAPTHTTCYP3A4TSHR |
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 |