Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4446976 | 0.87 | SMN1; SMN2 (0.55) | SMN1; SMN2TSHRPOLBCYP2D6LMNA | |
| SCHEMBL5357534 | 0.82 | ALDH1A1 (0.45) | CA1CA2CA9CA12SMN1; SMN2 | |
| SCHEMBL114362 | 0.82 | ALDH1A1 (0.45) | CA1CA2CA9CA12SMN1; SMN2 | |
| Phenylmethanesulfonic Acid SCHEMBL7805748 | 0.81 | CA1 (0.40) | CA1CA2CA9SMN1; SMN2POLB | |
| SCHEMBL3151100 | 0.80 | TSHR (0.62) | CA1CA2CA9CA12CA14 | |
| Diphenylmethane SCHEMBL9099741 | 0.77 | SMN1; SMN2 (0.54) | CA1CA2CA9CA12CA14 | |
| Sulfuric Acid SCHEMBL482696 | 0.77 | TRPA1 (0.43) | SMN1; SMN2TSHRPOLBLMNAALDH1A1 | |
| Sulfuric Acid SCHEMBL3797183 | 0.77 | TRPA1 (0.43) | SMN1; SMN2TSHRPOLBLMNAALDH1A1 | |
| SCHEMBL28353192 | 0.76 | TSHR (0.47) | CA1CA2CA9SMN1; SMN2TSHR | |
| Benzylamine SCHEMBL27648243 | 0.76 | CA1 (0.54) | 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 |