Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16957891 | 0.83 | NQO1 (0.42) | NQO1AKR1C3AKR1C2KDM4EMEN1 | |
| SCHEMBL6745102 | 0.82 | MEN1 (0.47) | NQO1AKR1C3AKR1C2KDM4EMEN1 | |
| SCHEMBL6741564 | 0.82 | MEN1 (0.47) | NQO1AKR1C3AKR1C2KDM4EMEN1 | |
| SCHEMBL16959677 | 0.81 | NQO1 (0.41) | NQO1AKR1C3AKR1C2KDM4EMEN1 | |
| SCHEMBL16956955 | 0.81 | NQO1 (0.41) | NQO1AKR1C3AKR1C2KDM4EMEN1 | |
| SCHEMBL16958552 | 0.80 | NQO1 (0.46) | NQO1AKR1C3AKR1C2KDM4EMEN1 | |
| SCHEMBL16952396 | 0.80 | NQO1 (0.46) | NQO1AKR1C3AKR1C2KDM4EMEN1 | |
| SCHEMBL16962031 | 0.79 | NQO1 (0.45) | NQO1AKR1C3AKR1C2KDM4EMEN1 | |
| SCHEMBL16962825 | 0.79 | NQO1 (0.45) | NQO1AKR1C3AKR1C2KDM4EMEN1 | |
| SCHEMBL16951391 | 0.79 | NQO1 (0.45) | NQO1AKR1C3AKR1C2MEN1KMT2A |
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 |