Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16952809 | 0.78 | NQO1 (0.52) | NQO1TSHRTDP1MEN1NPC1 | |
| SCHEMBL10891995 | 0.78 | NQO1 (0.52) | NQO1TSHRTDP1MEN1NPC1 | |
| SCHEMBL6986070 | 0.78 | NQO1 (0.52) | NQO1TSHRTDP1MEN1NPC1 | |
| SCHEMBL16956115 | 0.77 | ALDH1A1 (0.43) | TSHRTDP1MEN1NPC1KMT2A | |
| SCHEMBL16961906 | 0.76 | NQO1 (0.50) | NQO1TSHRTDP1MEN1NPC1 | |
| SCHEMBL16956424 | 0.76 | NQO1 (0.50) | NQO1TSHRTDP1MEN1NPC1 | |
| SCHEMBL16953948 | 0.76 | NQO1 (0.50) | NQO1TSHRTDP1MEN1NPC1 | |
| SCHEMBL16958253 | 0.76 | NQO1 (0.50) | NQO1TSHRTDP1MEN1NPC1 | |
| SCHEMBL12723998 | 0.76 | MEN1 (0.55) | NQO1TSHRTDP1MEN1NPC1 | |
| SCHEMBL14999430 | 0.76 | NQO1 (0.50) | NQO1TSHRTDP1MEN1NPC1 |
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 |