Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 6/20 | 0.33 |
| ▸ | MAPT | P10636 | 5/20 | 0.33 |
| ▸ | NPC1 | O15118 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.33 |
| ▸ | CNR2 | P34972 | 3/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9282898 | 0.80 | XDH (0.41) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL27746157 | 0.77 | HRH3 (0.46) | KDM1A | |
| SCHEMBL10338046 | 0.75 | ALDH1A1 (0.38) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL12697280 | 0.74 | GAA (0.46) | ALDH1A1MAPTGAAL3MBTL1KDM4E | |
| SCHEMBL11679569 | 0.74 | NPC1 (0.50) | SMN1; SMN2ALDH1A1RAB9AMAPTNPC1 | |
| SCHEMBL9278177 | 0.73 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| Hydrochloric Acid SCHEMBL9281543 | 0.73 | GAA (0.44) | ALDH1A1MAPTGAAL3MBTL1KDM4E | |
| SCHEMBL8517840 | 0.72 | ACACB (0.41) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL9580386 | 0.71 | SMN1; SMN2 (0.51) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL584333 | 0.71 | ALDH1A1 (0.56) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| JP-3181471-A | — | — | None | — | — | JP | disclosed |
| JP-H03181471-A | PYRAZINE DERIVATIVE | DAINIPPON INK & CHEM INC | 1991-08-07 | — | — | JP | disclosed |