Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 4/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | QPCT | Q16769 | 1/20 | 0.41 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.41 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28358964 | 0.89 | CYP3A4 (0.49) | CYP11B1CYP11B2CYP3A4CYP19A1TDP1 | |
| SCHEMBL8334506 | 0.83 | CYP11B1 (0.47) | CYP11B1CYP11B2CYP3A4CYP19A1TDP1 | |
| SCHEMBL29085390 | 0.82 | CYP11B1 (0.46) | CYP11B1CYP11B2CYP3A4TDP1MEN1 | |
| SCHEMBL7649005 | 0.81 | CYP3A4 (0.50) | CYP11B1CYP11B2CYP3A4CYP19A1TDP1 | |
| Hydrochloric Acid SCHEMBL28521741 | 0.79 | CYP3A4 (0.48) | CYP11B1CYP11B2CYP3A4CYP19A1TDP1 | |
| SCHEMBL9836179 | 0.78 | IDO1 (0.53) | CYP11B1CYP11B2CYP3A4CYP19A1TDP1 | |
| SCHEMBL10640740 | 0.77 | CYP3A4 (0.42) | CYP11B1CYP11B2CYP3A4CYP19A1TDP1 | |
| SCHEMBL27824977 | 0.76 | MEN1 (0.50) | CYP11B1CYP11B2CYP3A4TDP1MEN1 | |
| SCHEMBL9783557 | 0.75 | CYP3A4 (0.46) | CYP11B1CYP11B2CYP3A4TDP1MEN1 | |
| SCHEMBL9783576 | 0.73 | CYP3A4 (0.45) | CYP11B1CYP11B2CYP3A4CYP19A1TDP1 |
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-109206372-A | A kind of method of the new application and 2- substituted benzimidazole N- virtue sulfonylation of N- cyano-N-phenyl aromatic sulfuryl amine | 长沙理工大学 | 2019-01-15 | — | — | CN | disclosed |