Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.51 |
| ▸ | CA2 | P00918 | 9/20 | 0.51 |
| ▸ | CA9 | Q16790 | 7/20 | 0.51 |
| ▸ | CA12 | O43570 | 3/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.51 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7738770 | 0.87 | ALDH1A1 (0.43) | CA1CA2CA9CA12CA14 | |
| SCHEMBL7741664 | 0.86 | CA1 (0.49) | CA1CA2CA9CA12CA14 | |
| SCHEMBL137132 | 0.84 | HTR6 (0.46) | CA1CA2CA9CA12CA14 | |
| SCHEMBL7733615 | 0.83 | LTA4H (0.40) | CA1CA2CA9CA12CA14 | |
| Trifluoromethanesulfonic Acid SCHEMBL4643441 | 0.83 | CA2 (0.42) | CA1CA2CA9CA12CA14 | |
| SCHEMBL12017238 | 0.82 | CALM1 (0.60) | CA1CA2CA9CA12CA14 | |
| SCHEMBL3182561 | 0.81 | CA2 (0.46) | CA2LMNAHTR6 | |
| SCHEMBL30667563 | 0.81 | CA2 (0.51) | CA1CA2CA9CA12CA14 | |
| SCHEMBL7733558 | 0.80 | CA2 (0.50) | CA1CA2CA9CA12CA14 | |
| SCHEMBL9608259 | 0.80 | CALM1 (0.55) | CA1CA2CA9CA12CA14 |
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-6416928-B1 | HALOGENONIUM OR SULFONIUM SALTS OF SULFONATED DIPHENYLALKANE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-07-09 | — | — | US | disclosed |