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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 5/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL2424119 | 1.00 | CHRM2 (0.41) | CHRM2CHRM1CHRM4CHRM3ALDH1A1 | |
| SCHEMBL4762996 | 0.98 | CHRM2 (0.42) | CHRM2CHRM1CHRM4CHRM3ALDH1A1 | |
| SCHEMBL4339192 | 0.98 | CHRM2 (0.42) | CHRM2CHRM1CHRM4CHRM3ALDH1A1 | |
| SCHEMBL7493133 | 0.98 | CHRM2 (0.42) | CHRM2CHRM1CHRM4CHRM3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7498477 | 0.96 | ALDH1A1 (0.45) | CHRM2CHRM1CHRM4CHRM3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2421080 | 0.96 | ALDH1A1 (0.45) | CHRM2CHRM1CHRM4CHRM3ALDH1A1 | |
| SCHEMBL10368012 | 0.96 | CHRM2 (0.45) | CHRM2CHRM1CHRM4CHRM3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7499660 | 0.96 | ALDH1A1 (0.45) | CHRM2CHRM1CHRM4CHRM3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7093326 | 0.96 | ALDH1A1 (0.45) | CHRM2CHRM1CHRM4CHRM3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5139420 | 0.96 | ALDH1A1 (0.45) | CHRM2CHRM1CHRM4CHRM3ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5310911-A | Chiral synthesis for producing 1-azabicyclo(2.2.1)heptane-3-carboxylates | COTTRELL I F | 1994-05-10 | — | — | US | claimed |
| US-5310911-A | Chiral synthesis for producing 1-azabicyclo(2.2.1)heptane-3-carboxylates | COTTRELL I F | 1994-05-10 | — | — | US | disclosed |
| US-5104989-A | Chiral synthesis for producing 1-azabicyclo[2.2.1] heptane-3-carboxylates | MERCK SHARP & DOHME LTD. (GB) | 1992-04-14 | — | — | US | disclosed |
| EP-0398616-A2 | Chiral synthesis for producing 1-azabicyclo[2.2.1]heptane-3-carboxylates | MERCK SHARP & DOHME LTD. (GB) | 1990-11-22 | — | — | EP | disclosed |