Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL3716770 | 0.79 | ALDH1A1 (0.39) | ALDH1A1TSHRCYP1A2CYP2A6TRPA1 | |
| SCHEMBL5313673 | 0.77 | ALDH1A1 (0.60) | ALDH1A1TSHRCYP1A2CYP2A6MEN1 | |
| SCHEMBL3686691 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP1A2CYP2A6TRPA1 | |
| SCHEMBL6631634 | 0.76 | TRPA1 (0.48) | ALDH1A1TSHRCYP1A2CYP2A6TRPA1 | |
| SCHEMBL16951940 | 0.76 | L3MBTL1 (0.50) | ALDH1A1TSHRCYP1A2CYP2A6TRPA1 | |
| SCHEMBL16955979 | 0.76 | ALDH1A1 (0.37) | ALDH1A1TSHRCYP1A2CYP2A6TAS1R3 | |
| SCHEMBL16953345 | 0.76 | ALDH1A1 (0.37) | ALDH1A1TSHRCYP1A2CYP2A6TAS1R3 | |
| SCHEMBL16067449 | 0.76 | ALDH1A1 (0.37) | ALDH1A1TSHRCYP1A2CYP2A6TAS1R3 | |
| SCHEMBL6084173 | 0.75 | — | — | |
| SCHEMBL16956921 | 0.74 | TSHR (0.52) | ALDH1A1TSHRTRPA1KDM4EL3MBTL1 |
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 |