Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 13/20 | 0.35 |
| ▸ | CA2 | P00918 | 13/20 | 0.35 |
| ▸ | MMP1 | P03956 | 4/20 | 0.34 |
| ▸ | MMP2 | P08253 | 4/20 | 0.34 |
| ▸ | MMP9 | P14780 | 4/20 | 0.34 |
| ▸ | MMP8 | P22894 | 4/20 | 0.34 |
| ▸ | MMP13 | P45452 | 4/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4641390 | 0.99 | CA1 (0.34) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL6023248 | 0.88 | CA1 (0.31) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL4641444 | 0.88 | CA1 (0.31) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL4641408 | 0.88 | KCNH2 (0.35) | CA1CA2 | |
| SCHEMBL4643440 | 0.88 | PTPN1 (0.33) | CA1CA2MMP1MMP2MMP9 | |
| Trifluoromethanesulfonic Acid SCHEMBL4643970 | 0.88 | GPR3 (0.35) | CA1CA2MMP13CA12CA9 | |
| Trifluoromethanesulfonic Acid SCHEMBL4641374 | 0.86 | GPR3 (0.36) | CA1CA2MMP13CA12CA9 | |
| SCHEMBL4643684 | 0.86 | SOS1 (0.32) | — | |
| SCHEMBL4644645 | 0.86 | — | — | |
| SCHEMBL4641411 | 0.86 | CA1 (0.30) | CA1CA2MMP1MMP2MMP9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1443042-B1 | HYBRID ONIUM SALT | WAKO PURE CHEM IND LTD (JP) | 2008-08-13 | — | — | EP | disclosed |
| US-7101918-B2 | Hybrid type onium salt | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2006-09-05 | — | — | US | disclosed |
| US-20050020710-A1 | Hybrid onium salt | WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) | 2005-01-27 | — | — | US | disclosed |
| EP-1443042-A1 | HYBRID ONIUM SALT | Wako Pure Chemical Industries, Ltd. (JP) | 2004-08-04 | — | — | EP | disclosed |