Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KAT6A | Q92794 | 6/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 2/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL16955449 | 0.88 | NQO1 (0.50) | NQO1TSHRTDP1CA12CA1 | |
| SCHEMBL16951596 | 0.84 | CA12 (0.41) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL16954496 | 0.81 | ESR1 (0.50) | NQO1TSHRTDP1KAT6A | |
| SCHEMBL16950755 | 0.81 | KCNH2 (0.48) | NQO1TSHRTDP1KAT6AKCNH2 | |
| SCHEMBL16951236 | 0.80 | HPGD (0.33) | TSHR | |
| SCHEMBL16953945 | 0.79 | NQO1 (0.41) | NQO1TSHRTDP1KAT6ALTA4H | |
| SCHEMBL16957167 | 0.79 | NQO1 (0.41) | NQO1TSHRTDP1LTA4H | |
| SCHEMBL16951238 | 0.79 | NQO1 (0.41) | NQO1TSHRTDP1LTA4HKCNH2 | |
| SCHEMBL16958266 | 0.79 | NQO1 (0.41) | NQO1TSHRTDP1LTA4H | |
| SCHEMBL16955846 | 0.79 | NQO1 (0.41) | NQO1TSHRTDP1CA12CA1 |
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 |