Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | LOX | P28300 | 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 | |
|---|---|---|---|---|
| SCHEMBL18770453 | 1.00 | SMN1; SMN2 (0.46) | SMN1; SMN2GAAALDH1A1MEN1KMT2A | |
| SCHEMBL18770511 | 0.77 | — | — | |
| SCHEMBL14886856 | 0.76 | SMN1; SMN2 (0.55) | SMN1; SMN2GAAALDH1A1MEN1KMT2A | |
| SCHEMBL17290978 | 0.73 | SMN1; SMN2 (0.49) | SMN1; SMN2GAAALDH1A1MEN1KMT2A | |
| SCHEMBL1778278 | 0.72 | SMN1; SMN2 (0.51) | SMN1; SMN2GAAALDH1A1MEN1KMT2A | |
| SCHEMBL420793 | 0.70 | SMN1; SMN2 (0.62) | SMN1; SMN2GAAALDH1A1MEN1KMT2A | |
| SCHEMBL22678264 | 0.69 | SMN1; SMN2 (0.47) | SMN1; SMN2GAAALDH1A1MEN1KMT2A | |
| SCHEMBL11047547 | 0.68 | SMN1; SMN2 (0.60) | SMN1; SMN2GAAALDH1A1MEN1KMT2A | |
| SCHEMBL18770435 | 0.68 | SMN1; SMN2 (0.39) | SMN1; SMN2GAAALDH1A1MEN1KMT2A | |
| Diethylamine SCHEMBL7761090 | 0.68 | SMN1; SMN2 (0.41) | SMN1; SMN2GAAALDH1A1MEN1KMT2A |
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-3365328-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | Cardioxyl Pharmaceuticals, Inc. (US) | 2018-08-29 | — | — | EP | disclosed |
| WO-2017070081-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2017-04-27 | — | — | WO | disclosed |