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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.32 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.32 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA9 | Q16790 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL304911 | 0.97 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRTRPA1CES2 | |
| SCHEMBL15466997 | 0.93 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRTRPA1CES2 | |
| SCHEMBL28017281 | 0.93 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRTRPA1CES2 | |
| SCHEMBL28993879 | 0.93 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRTRPA1CES2 | |
| SCHEMBL28738751 | 0.93 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRTRPA1CES2 | |
| SCHEMBL10277371 | 0.93 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRTRPA1CES2 | |
| SCHEMBL11771096 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRTRPA1BBOX1 | |
| SCHEMBL9723314 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRTRPA1BBOX1 | |
| SCHEMBL28694359 | 0.73 | ALDH1A1 (0.36) | ALDH1A1TDP1MAPK1 | |
| Bromide SCHEMBL1470554 | 0.72 | ALDH1A1 (0.38) | ALDH1A1TDP1TSHRBBOX1EHMT2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112457287-B | Preparation method of E-olopatadine | 重庆西南制药二厂有限责任公司 | 2024-02-06 | — | — | CN | claimed |
| CN-112457287-B | Preparation method of E-olopatadine | 重庆西南制药二厂有限责任公司 | 2024-02-06 | — | — | CN | disclosed |
| CN-112457287-B | Preparation method of E-olopatadine | 重庆西南制药二厂有限责任公司 | 2024-02-06 | — | — | CN | disclosed |
| CN-112457287-A | Preparation method of E-olopatadine | 重庆西南制药二厂有限责任公司 | 2021-03-09 | — | — | CN | disclosed |
| US-5117059-A | Crosslinkers | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1992-05-26 | — | — | US | disclosed |
| US-5108653-A | Crosslinking emulsions | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1992-04-28 | — | — | US | disclosed |
| US-5081173-A | Emulsion and cross-linkable compositions containing polycarbodimides | UNION CARBIDE CHEMICALS AND PLASTICS TECHNOLOGY CORPORATION (US) | 1992-01-14 | — | — | US | disclosed |
| US-5047588-A | Surface active polycarbodiimides and their dispersions | UNION CARBIDE CHEMICALS AND PLASTICS TECHNOLOGY CORPORATION (US) | 1991-09-10 | — | — | US | disclosed |
| EP-0241805-B1 | SURFACE ACTIVE POLYCARBODIIMIDES AND THEIR DISPERSIONS | UNION CARBIDE CORPORATION (US) | 1991-01-09 | — | — | EP | disclosed |
| US-4820863-A | EMULSIFIER FOR AQUEOUS LATEX | UNION CARBIDE CORPORATION (US) | 1989-04-11 | — | — | US | disclosed |
| EP-0274402-A2 | Polyfunctional carbodiimides having particular structures | UNION CARBIDE CORPORATION (US) | 1988-07-13 | — | — | EP | disclosed |
| EP-0259511-A1 | Polyfunctional carbodiimides having particular structures | UNION CARBIDE CORPORATION (US) | 1988-03-16 | — | — | EP | disclosed |
| EP-0241805-A2 | Surface active polycarbodiimides and their dispersions | UNION CARBIDE CORPORATION (US) | 1987-10-21 | — | — | EP | disclosed |