Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL9809529 | 0.98 | CA12 (0.33) | CA12CA2CA9TSHRMAPK1 | |
| Hydrochloric Acid SCHEMBL3390315 | 0.96 | CA12 (0.32) | CA12CA2CA9TSHRMAPK1 | |
| Sulfuric Acid SCHEMBL6812275 | 0.90 | CA1 (0.34) | CA12CA2CA9 | |
| SCHEMBL4653767 | 0.85 | CA12 (0.38) | CA12CA9 | |
| SCHEMBL4655048 | 0.79 | ALDH1A1 (0.30) | — | |
| Bromide SCHEMBL9616520 | 0.78 | PAOX (0.38) | — | |
| SCHEMBL4534307 | 0.76 | TDP1 (0.36) | CA12CA2CA9TSHRMAPK1 | |
| SCHEMBL10778511 | 0.75 | CA12 (0.36) | CA12CA2CA9TSHRMAPK1 | |
| Hydrochloric Acid SCHEMBL4805870 | 0.74 | TDP1 (0.35) | CA12CA2CA9TSHRMAPK1 | |
| SCHEMBL15787944 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7049350-B2 | Polymerizable compound, polymerizable composition and cured product containing the compound | SHOWA DENKO K.K. (JP) | 2006-05-23 | — | — | US | disclosed |
| US-20040235980-A1 | Polymerizable compound, polymerizable composition and cured product containing the compound | SHOWA DENKO K.K. (JP) | 2004-11-25 | — | — | US | disclosed |
| WO-2003010124-A1 | POLYMERIZABLE COMPOUND, polymeRIZABLE COMPOSITION AND CURED PRODUCT CONTAINING THE COMPOUND | SHOWA DENKO K. K. (JP) | 2003-02-06 | — | — | WO | disclosed |