Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.46 |
| ▸ | NPC1 | O15118 | 7/20 | 0.46 |
| ▸ | RAB9A | P51151 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.46 |
| ▸ | RELA | Q04206 | 2/20 | 0.46 |
| ▸ | NPY1R | P25929 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29955990 | 0.81 | CA12 (0.53) | CYP2A6CA12CA1CA9KDM4E | |
| SCHEMBL22898909 | 0.79 | RAB9A (0.60) | KDM4ENPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL18976009 | 0.78 | CYP2A6 (0.57) | CYP2A6KDM4EALDH1A1 | |
| SCHEMBL7834019 | 0.77 | PIM1 (0.55) | KDM4ENPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL10647060 | 0.76 | RAB9A (0.48) | CA12CA1CA9KDM4ENPC1 | |
| SCHEMBL4387567 | 0.75 | ALDH1A1 (0.74) | CA12CA1CA9KDM4ENPC1 | |
| SCHEMBL7836097 | 0.75 | RAB9A (0.53) | KDM4ENPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL27294803 | 0.74 | MAPK14 (0.58) | NPC1RAB9AMEN1KMT2A | |
| SCHEMBL11337269 | 0.74 | ALDH1A1 (0.65) | CA12CA1CA9KDM4EALDH1A1 | |
| SCHEMBL12227346 | 0.73 | NPC1 (0.57) | CYP2A6KDM4ENPC1RAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021010731-A1 | BENZOFURAN-BASED N-ACYLHYDRAZONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | 한국생명공학연구원 | 2021-01-21 | — | — | WO | disclosed |