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 | 1/20 | 0.39 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7775007 | 0.98 | MAPT (0.42) | MAPTALDH1A1TDP1TSHRHSD17B10 | |
| SCHEMBL8560261 | 0.81 | MAPT (0.39) | MAPTALDH1A1TDP1TSHRHSD17B10 | |
| SCHEMBL8553919 | 0.79 | MAPT (0.40) | MAPTALDH1A1TDP1TSHRHSD17B10 | |
| SCHEMBL7919050 | 0.78 | CYP2D6 (0.59) | MAPTALDH1A1TDP1TSHRHSD17B10 | |
| SCHEMBL8559212 | 0.78 | DNM1 (0.46) | MAPTALDH1A1TDP1CYP1A2CYP2D6 | |
| SCHEMBL8555160 | 0.77 | MAPT (0.38) | MAPTALDH1A1TDP1TSHRHSD17B10 | |
| Iodide SCHEMBL30254970 | 0.76 | CYP1A2 (0.57) | MAPTALDH1A1TDP1TSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL10800502 | 0.76 | CYP1A2 (0.57) | MAPTALDH1A1TDP1TSHRHSD17B10 | |
| SCHEMBL8558223 | 0.75 | ALDH1A1 (0.37) | MAPTALDH1A1TDP1TSHRHSD17B10 | |
| SCHEMBL8553694 | 0.74 | ALDH1A1 (0.36) | MAPTALDH1A1HSD17B10CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0684248-B1 | Process for the preparation of tertiary diarylalkylphosphines | CELANESE CHEM EUROPE GMBH (DE) | 2001-08-29 | — | — | EP | disclosed |
| EP-0685456-B1 | Bisquaternary ammonium derivatives of 2,2'-dimethyl-1,1'binaphtyl and process for their preparation | HOECHST AG (DE) | 1998-04-15 | — | — | EP | disclosed |
| US-5599989-A | Bisquaternary ammonium compounds of 2,2'-dimethyl-1,1'-binaphythyl and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-02-04 | — | — | US | disclosed |
| US-5527967-A | Process for preparing tertiary diarylalkylphosphines | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-06-18 | — | — | US | disclosed |
| EP-0685456-A1 | Bisquaternary ammonium derivatives of 2,2'-dimethyl-1,1'binaphtyl and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-12-06 | — | — | EP | disclosed |
| EP-0684248-A1 | Process for the preparation of tertiary diarylalkylphosphines | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-11-29 | — | — | EP | disclosed |