Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | CDK8 | P49336 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 6/20 | 0.45 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 6/20 | 0.43 |
| ▸ | CA1 | P00915 | 5/20 | 0.43 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.41 |
| ▸ | TTK | P33981 | 2/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1668053 | 0.88 | KAT6A (0.52) | CYP2A6CDK8CA9KAT6APDPK1 | |
| Hydrochloric Acid SCHEMBL5692840 | 0.86 | KAT6A (0.51) | CYP2A6CDK8CA9KAT6APDPK1 | |
| Hydrochloric Acid SCHEMBL5692827 | 0.86 | KAT6A (0.51) | CYP2A6CDK8CA9KAT6APDPK1 | |
| SCHEMBL28145286 | 0.80 | CA9 (0.58) | CYP2A6CDK8CA9KAT6ALRRK2 | |
| SCHEMBL7079127 | 0.77 | PDPK1 (0.67) | CYP2A6KAT6APDPK1 | |
| SCHEMBL31418083 | 0.77 | CYP2A6 (0.55) | CYP2A6KAT6APDPK1 | |
| Ammonia Solution, Strong SCHEMBL7490955 | 0.76 | CYP2A6 (0.54) | CYP2A6PDPK1 | |
| SCHEMBL28844211 | 0.74 | CDK8 (0.46) | CDK8CA9KAT6ALRRK2CA2 | |
| SCHEMBL14075569 | 0.74 | CA9 (0.70) | CYP2A6CDK8CA9LRRK2CA2 | |
| SCHEMBL28844052 | 0.74 | MAOA (0.60) | CDK8CA9LRRK2CA2CA1 |
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-104334527-B | Sulfonamide compounds and uses as tnap inhibitors | 桑福德-伯纳姆医学研究院 | 2017-05-24 | — | — | CN | disclosed |