Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX1 | Q96LB2 | 7/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TSPO | P30536 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16960638 | 0.88 | MRGPRX1 (0.47) | MRGPRX1ALDH1A1SMN1; SMN2HTTTSPO | |
| SCHEMBL16962098 | 0.84 | MRGPRX1 (0.46) | MRGPRX1ALDH1A1SMN1; SMN2HTTTSPO | |
| SCHEMBL16953757 | 0.83 | KDM4E (0.43) | ALDH1A1SMN1; SMN2FFAR4KDM4E | |
| SCHEMBL30628345 | 0.81 | CYP3A4 (0.61) | MRGPRX1ALDH1A1SMN1; SMN2HTTTSPO | |
| SCHEMBL3165420 | 0.81 | CYP3A4 (0.61) | MRGPRX1ALDH1A1SMN1; SMN2HTTTSPO | |
| SCHEMBL16958310 | 0.81 | MAPT (0.42) | MRGPRX1ALDH1A1SMN1; SMN2HTTL3MBTL1 | |
| SCHEMBL16960391 | 0.80 | TSHR (0.49) | MRGPRX1CYP1A2CYP2D6TSHRHPGD | |
| SCHEMBL16961642 | 0.80 | TSHR (0.49) | ALDH1A1SMN1; SMN2HTTL3MBTL1CYP3A4 | |
| SCHEMBL16957026 | 0.80 | CYP2C19 (0.55) | ALDH1A1L3MBTL1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL16954021 | 0.79 | IRAK4 (0.39) | ALDH1A1SMN1; SMN2HTTL3MBTL1HPGD |
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 |