Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 8/20 | 0.36 |
| ▸ | NPC1 | O15118 | 6/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.36 |
| ▸ | RELA | Q04206 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13990429 | 0.82 | RAPGEF4 (0.44) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL30476640 | 0.82 | RAPGEF4 (0.44) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL5018064 | 0.77 | RAB9A (0.49) | CYP2A6RAB9ANPC1SMN1; SMN2NFKB1 | |
| SCHEMBL3847559 | 0.75 | CYP2A6 (0.54) | CYP2A6RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL30558478 | 0.74 | RAPGEF4 (0.55) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL12385887 | 0.74 | RAPGEF4 (0.50) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL4546338 | 0.74 | RAPGEF4 (0.55) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL14037479 | 0.73 | NR1I3 (0.47) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL3984892 | 0.73 | PNMT (0.57) | CYP2A6SMN1; SMN2ALDH1A1GAAHTT | |
| SCHEMBL5582726 | 0.73 | NPC1 (0.55) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 |
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-2018068357-A1 | NOVEL SIRT2 PROTEIN INHIBITOR AND PHARMACEUTICAL USE THEREOF | 西华大学 | 2018-04-19 | — | — | WO | disclosed |