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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.50 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.50 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.50 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 7/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD5 | P21918 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10345745 | 0.98 | DRD1 (0.51) | DRD1ADRA2AADRA2BADRA2CDRD2 | |
| Bromide SCHEMBL10835837 | 0.85 | ADRA2A (0.46) | DRD1ADRA2AADRA2BADRA2CDRD2 | |
| Bromide SCHEMBL10835832 | 0.85 | ADRA2A (0.46) | DRD1ADRA2AADRA2BADRA2CDRD2 | |
| Bromide SCHEMBL10506337 | 0.85 | ADRA2A (0.46) | DRD1ADRA2AADRA2BADRA2CDRD2 | |
| SCHEMBL10505280 | 0.83 | ADRA2A (0.47) | DRD1ADRA2AADRA2BADRA2CDRD2 | |
| SCHEMBL12363110 | 0.82 | DRD1 (0.47) | DRD1ADRA2AADRA2BADRA2CDRD2 | |
| SCHEMBL612393 | 0.74 | ADRA2A (0.54) | DRD1ADRA2AADRA2BADRA2CDRD2 | |
| SCHEMBL612392 | 0.74 | ADRA2A (0.54) | DRD1ADRA2AADRA2BADRA2CDRD2 | |
| SCHEMBL613487 | 0.74 | ADRA2A (0.54) | DRD1ADRA2AADRA2BADRA2CDRD2 | |
| SCHEMBL612391 | 0.74 | ADRA2A (0.54) | DRD1ADRA2AADRA2BADRA2CDRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0170093-B1 | 1,2,3,3A,8,8A-HEXAHYDRO-INDENO-(1,2-C)PYRRDES | ABBOTT LABORATORIES (US) | 1990-03-07 | — | — | EP | disclosed |
| US-4622405-A | 1,2,3,3a,8,8a-hexahydro-indeno[1,2-c]pyrroles useful in the treatment of hypertension | ABBOTT LABORATORIES (US) | 1986-11-11 | — | — | US | disclosed |
| EP-0170093-A1 | 1,2,3,3a,8,8a-Hexahydro-Indeno-(1,2-c)Pyrrdes | ABBOTT LABORATORIES (US) | 1986-02-05 | — | — | EP | disclosed |