Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.35 |
| ▸ | CHRM4 known ✓ | P08173 | 3/20 | 0.35 |
| ▸ | CHRM1 known ✓ | P11229 | 3/20 | 0.35 |
| ▸ | CHRM5 known ✓ | P08912 | 2/20 | 0.34 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | GALR3 | O60755 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CPT2 | P23786 | 1/20 | 0.34 |
| ▸ | CPT1A | P50416 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL2303832 | 0.98 | MAPT (0.43) | MAPTSLC22A16MEN1KMT2ACYP2C19 | |
| Hydrochloric Acid SCHEMBL21643595 | 0.95 | MAPT (0.46) | MAPTSLC22A16MEN1KMT2ACYP2C19 | |
| Hydrochloric Acid SCHEMBL19025643 | 0.95 | MAPT (0.41) | MAPTSLC22A16MEN1KMT2ACYP2C19 | |
| Iodide SCHEMBL11431896 | 0.95 | MAPT (0.41) | MAPTSLC22A16MEN1KMT2ACYP2C19 | |
| Bromide SCHEMBL8614699 | 0.82 | MAPT (0.39) | MAPTSLC22A16MEN1KMT2ACHRM2 | |
| SCHEMBL5582502 | 0.80 | MAPT (0.44) | MAPTSLC22A16MEN1KMT2ACHRM2 | |
| SCHEMBL396149 | 0.79 | MAPT (0.40) | MAPTSLC22A16MEN1KMT2ACHRM2 | |
| Bromide SCHEMBL1320990 | 0.79 | MAPT (0.40) | MAPTSLC22A16CYP2C19CHRM2CHRM4 | |
| Water SCHEMBL15994022 | 0.77 | MAPT (0.39) | MAPTSLC22A16MEN1KMT2ACHRM2 | |
| Hydrochloric Acid SCHEMBL19025641 | 0.77 | MAPT (0.39) | MAPTSLC22A16MEN1KMT2ACHRM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10626079-B2 | Method for preparing single crystal of anhydrous halogenated choline or derivative thereof | HEBEI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2020-04-21 | — | — | US | disclosed |
| US-20200039918-A1 | METHOD FOR PREPARING SINGLE CRYSTAL OF ANHYDROUS HALOGENATED CHOLINE OR DERIVATIVE THEREOF | HEBEI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2020-02-06 | — | — | US | disclosed |