Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.35 |
| ▸ | MAPT | P10636 | 6/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | RAF1 | P04049 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18146016 | 0.80 | ALDH1A1 (0.54) | CYP1A2CYP2C19TSHRALDH1A1MAPT | |
| SCHEMBL16961676 | 0.80 | CYP1A2 (0.46) | CYP1A2CYP2C19TSHRALDH1A1MAPT | |
| SCHEMBL16953897 | 0.80 | ALDH1A1 (0.34) | CYP1A2CYP2C19TSHRALDH1A1MAPT | |
| SCHEMBL102473 | 0.78 | CYP1A2 (0.59) | CYP1A2CYP2C19TSHRALDH1A1MAPT | |
| SCHEMBL16956631 | 0.78 | ABCG2 (0.41) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL16953581 | 0.78 | SMN1; SMN2 (0.37) | TSHRALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL16953176 | 0.76 | KDM4E (0.40) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL16960898 | 0.76 | TRPA1 (0.44) | CYP1A2CYP2C19ALDH1A1MAPTKDM4E | |
| SCHEMBL16960029 | 0.76 | MAPT (0.33) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL16958371 | 0.76 | ALDH1A1 (0.34) | ALDH1A1MAPTKDM4EMEN1KMT2A |
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 |