Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 13/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 13/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 13/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 13/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 13/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 13/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 12/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.49 |
| ▸ | BRS3 | P32247 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19975323 | 0.86 | BRS3 (0.52) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL19974642 | 0.84 | BRS3 (0.54) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL21677849 | 0.79 | BRS3 (0.65) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL19974654 | 0.78 | CYP2E1 (0.43) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL29811167 | 0.78 | CYP2E1 (0.43) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL10701069 | 0.77 | NPC1 (0.51) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL9282088 | 0.77 | BRS3 (0.55) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL13651209 | 0.77 | CYP2E1 (0.78) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL15693611 | 0.76 | RAB9A (0.76) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL13068890 | 0.76 | BRS3 (0.70) | CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6 |
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-2018053161-A1 | NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS | NATIONAL TAIWAN UNIVERSITY (TW) | 2018-03-22 | — | — | WO | disclosed |