Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.60 |
| ▸ | CA9 | Q16790 | 6/20 | 0.60 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.52 |
| ▸ | PTGES | O14684 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6865453 | 0.96 | CA12 (0.60) | CA12CA9TRPV1PTGESGAA | |
| SCHEMBL6866169 | 0.95 | CA12 (0.59) | CA12CA9TRPV1PTGESGAA | |
| SCHEMBL6868985 | 0.93 | CA12 (0.58) | CA12CA9TRPV1PTGESGAA | |
| SCHEMBL6868015 | 0.85 | PTGES (0.68) | CA12CA9TRPV1PTGESCYP3A4 | |
| Diethylamine SCHEMBL22229832 | 0.80 | PTGES (0.62) | CA12CA9PTGESGAACYP3A4 | |
| SCHEMBL22073589 | 0.77 | CYP3A4 (0.60) | CA12CA9PTGESCYP3A4ALDH1A1 | |
| SCHEMBL8885028 | 0.75 | CA12 (0.74) | CA12CA9PTGESALDH1A1LPAR2 | |
| SCHEMBL3336990 | 0.74 | CA12 (1.00) | CA12CA9CYP3A4ALDH1A1LMNA | |
| SCHEMBL8887751 | 0.74 | CA12 (0.74) | CA12CA9ALDH1A1LMNALPAR2 | |
| SCHEMBL9490269 | 0.73 | CA12 (0.97) | CA12CA9CYP3A4ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6806291-B1 | 2-(((4-HYDROXYPHENYL)CARBAMOYL)ALKYLSULFAMOYL)BENZOIC ACIDS; LIMITED HEPATOTOXIC EFFECT | THE FOUNDATION FOR THE LSU HEALTH SCIENCES CENTER | 2004-10-19 | — | — | US | disclosed |