Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16956011 | 0.81 | CA1 (0.33) | PYCR1 | |
| SCHEMBL16955888 | 0.81 | ALOX15 (0.35) | ALDH1A1 | |
| SCHEMBL16958572 | 0.80 | GABRA1 (0.42) | GABRA1GABRB1ALDH1A1MAPTHPGD | |
| SCHEMBL16956297 | 0.79 | L3MBTL1 (0.33) | PYCR1GABRA1ALDH1A1MAPTHPGD | |
| SCHEMBL16959394 | 0.78 | PSEN1 (0.35) | ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL16952074 | 0.78 | DGAT1 (0.34) | PYCR1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL16960528 | 0.78 | CYP3A4 (0.39) | ALDH1A1MAPTMEN1KMT2AHPGD | |
| SCHEMBL16953527 | 0.78 | ALDH1A1 (0.35) | PYCR1ALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL16962259 | 0.78 | — | — | |
| SCHEMBL16956363 | 0.77 | FFAR1 (0.36) | ALDH1A1 |
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 |