Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 2/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL8962782 | 1.00 | NQO1 (0.35) | NQO1KMT2ACSF1RCACNA2D1ALDH1A1 | |
| SCHEMBL8963015 | 0.89 | CYP1A2 (0.36) | KMT2AALDH1A1SMN1; SMN2DGAT1 | |
| SCHEMBL8963005 | 0.89 | CYP1A2 (0.36) | KMT2AALDH1A1SMN1; SMN2DGAT1 | |
| SCHEMBL9299861 | 0.86 | DRD2 (0.39) | DRD2DRD4DRD3NOTUM | |
| SCHEMBL9299863 | 0.86 | DRD2 (0.39) | DRD2DRD4DRD3NOTUM | |
| SCHEMBL8962983 | 0.81 | NQO1 (0.42) | NQO1KMT2ACACNA2D1DRD2 | |
| SCHEMBL8962673 | 0.81 | HDAC1 (0.32) | NQO1KMT2ACACNA2D1 | |
| SCHEMBL8962980 | 0.81 | NQO1 (0.42) | NQO1KMT2ACACNA2D1DRD2 | |
| SCHEMBL8962664 | 0.81 | HDAC1 (0.32) | NQO1KMT2ACACNA2D1 | |
| SCHEMBL8963194 | 0.80 | CSF1R (0.38) | KMT2ACSF1R |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0559860-B1 | HALOVINYL-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 1996-02-14 | — | — | EP | disclosed |
| US-5364556-A | Halovinyl-derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-11-15 | — | — | US | disclosed |
| EP-0559860-A1 | HALOVINYL-DERIVATIVES. | HOFFMANN LA ROCHE (CH) | 1993-09-15 | — | — | EP | disclosed |
| WO-1993007234-A1 | HALOVINYL-DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-15 | — | — | WO | disclosed |