Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | NAAA | Q02083 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8920234 | 0.84 | THRB (0.54) | SMN1; SMN2CYP1A2CYP3A4GAAALDH1A1 | |
| SCHEMBL8921547 | 0.84 | THRB (0.54) | SMN1; SMN2CYP1A2CYP3A4GAAALDH1A1 | |
| SCHEMBL8921545 | 0.84 | THRB (0.54) | SMN1; SMN2CYP1A2CYP3A4GAAALDH1A1 | |
| SCHEMBL8918534 | 0.81 | P2RX7 (0.49) | SMN1; SMN2HTTRAB9A | |
| SCHEMBL8919032 | 0.79 | KDM4E (0.51) | SMN1; SMN2KDM4ECYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL8918493 | 0.78 | SIRT3 (0.40) | SMN1; SMN2KDM4EGAAALDH1A1KMT2A | |
| SCHEMBL8919561 | 0.78 | HDAC1 (0.48) | SMN1; SMN2KDM4EKMT2AHDAC1 | |
| SCHEMBL8919568 | 0.78 | HDAC1 (0.48) | SMN1; SMN2KDM4EKMT2AHDAC1 | |
| SCHEMBL8919846 | 0.77 | KDM4E (0.51) | SMN1; SMN2KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL8918226 | 0.77 | SMN1; SMN2 (0.47) | SMN1; SMN2ALDH1A1KMT2AHTTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-5691366-A | UNSATURATED NITRO OXIME FORMED BY REACTION OF DINITROGEN TRIOXIDE WITH DIOLEFIN ETHER, SULFIDE OR AMINE TO BE USED AS VASODILATORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-11-25 | — | — | US | disclosed |