Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.69 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.69 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.69 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.69 |
| ▸ | NOS2 | P35228 | 2/20 | 0.68 |
| ▸ | NOS3 | P29474 | 1/20 | 0.68 |
| ▸ | NOS1 | P29475 | 1/20 | 0.68 |
| ▸ | RAB9A | P51151 | 9/20 | 0.57 |
| ▸ | NPC1 | O15118 | 8/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | GFER | P55789 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL599673 | 0.82 | CYP1A2 (1.00) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL10921495 | 0.81 | NOS2 (0.73) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| Water SCHEMBL4488115 | 0.81 | CYP1A2 (0.97) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL11687988 | 0.81 | CYP1A2 (0.97) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL11684920 | 0.81 | CYP2E1 (0.73) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL7850535 | 0.81 | CYP1A2 (0.71) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9279504 | 0.80 | RAB9A (0.69) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9275286 | 0.78 | AR (0.64) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL6881221 | 0.77 | NOS2 (0.72) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL2998260 | 0.77 | NOS2 (0.76) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103724325-B | Process for preparing sulfinyl-1-hydro-benzimidazole derivatives | NANJING TECH UNIVERSITY (CN) | 2016-04-13 | — | — | CN | disclosed |