Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 3/20 | 0.52 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL376944 | 0.94 | CA4 (0.52) | CA4OR51E2LMNACYP3A4TSHR | |
| SCHEMBL1036200 | 0.94 | CA4 (0.52) | CA4OR51E2LMNACYP3A4TSHR | |
| Silver SCHEMBL9803480 | 0.94 | — | — | |
| SCHEMBL8953691 | 0.94 | CA4 (0.52) | CA4OR51E2LMNACYP3A4TSHR | |
| SCHEMBL9251243 | 0.94 | CA4 (0.57) | CA4OR51E2LMNACYP3A4TSHR | |
| SCHEMBL291843 | 0.94 | CA4 (0.52) | CA4OR51E2LMNACYP3A4TSHR | |
| SCHEMBL9651902 | 0.94 | CA4 (0.52) | CA4OR51E2LMNACYP3A4TSHR | |
| SCHEMBL320248 | 0.94 | — | — | |
| SCHEMBL10789752 | 0.94 | CA4 (0.52) | CA4OR51E2LMNACYP3A4TSHR | |
| SCHEMBL2512864 | 0.94 | CA4 (0.52) | CA4OR51E2LMNACYP3A4TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8642679-B2 | Dental cement composition | GC CORPORATION (JP) | 2014-02-04 | — | — | US | claimed |
| US-20100068678-A1 | CEMENT FOR SEALER | GC CORPORATION (JP) | 2010-03-18 | — | — | US | claimed |
| EP-2163232-A1 | Cement for sealer | GC Corporation (JP) | 2010-03-17 | — | — | EP | claimed |
| US-8642679-B2 | Dental cement composition | GC CORPORATION (JP) | 2014-02-04 | — | — | US | disclosed |
| US-20100068678-A1 | CEMENT FOR SEALER | GC CORPORATION (JP) | 2010-03-18 | — | — | US | disclosed |
| EP-2163232-A1 | Cement for sealer | GC Corporation (JP) | 2010-03-17 | — | — | EP | disclosed |