Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 6/20 | 0.52 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.52 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.52 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9650676 | 1.00 | GABRA1 (0.52) | GABRA1GABRG2GABRB3GABRB2GABRB1 | |
| SCHEMBL9652136 | 0.84 | FLT1 (0.44) | GABRA1GABRG2GABRB3GABRB2SMN1; SMN2 | |
| SCHEMBL9652129 | 0.84 | FLT1 (0.44) | GABRA1GABRG2GABRB3GABRB2SMN1; SMN2 | |
| SCHEMBL9653284 | 0.83 | GABRA1 (0.55) | GABRA1GABRG2GABRB3GABRB2GABRB1 | |
| SCHEMBL9653290 | 0.83 | GABRA1 (0.55) | GABRA1GABRG2GABRB3GABRB2GABRB1 | |
| SCHEMBL9650680 | 0.82 | GABRA1 (0.53) | GABRA1GABRG2GABRB3GABRB2GABRB1 | |
| Lithium Ion SCHEMBL9653317 | 0.81 | FLT1 (0.44) | GABRA1GABRG2GABRB3GABRB2SMN1; SMN2 | |
| SCHEMBL9650692 | 0.81 | FLT1 (0.44) | GABRA1GABRG2GABRB3GABRB2SMN1; SMN2 | |
| Potassium Ion SCHEMBL9650785 | 0.81 | FLT1 (0.44) | GABRA1GABRG2GABRB3GABRB2SMN1; SMN2 | |
| Lithium Ion SCHEMBL9653324 | 0.81 | FLT1 (0.44) | GABRA1GABRG2GABRB3GABRB2SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0213892-B1 | HERBICIDALLY ACTIVE ENOLS | ROHM AND HAAS COMPANY (US) | 1992-03-25 | — | — | EP | disclosed |
| EP-0213892-A2 | Herbicidally active enols | ROHM AND HAAS COMPANY (US) | 1987-03-11 | — | — | EP | disclosed |