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 | 0.34 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5139533 | 0.85 | RAB9A (0.38) | HPGDHTTRAB9ATDP1TAS1R3 | |
| Hydrochloric Acid SCHEMBL11734144 | 0.79 | TDP1 (0.41) | SMN1; SMN2HPGDTDP1TAS1R3TAS1R1 | |
| SCHEMBL28393356 | 0.75 | TDP1 (0.39) | SMN1; SMN2HPGDTDP1TAS1R3TAS1R1 | |
| SCHEMBL5509835 | 0.74 | ALDH1A1 (0.37) | SMN1; SMN2HPGDRAB9APKMTDP1 | |
| SCHEMBL28298086 | 0.74 | GPR35 (0.36) | SMN1; SMN2HPGDRAB9ATDP1TAS1R3 | |
| SCHEMBL5073994 | 0.71 | LMNA (0.36) | HPGDTDP1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL4029942 | 0.70 | LMNA (0.56) | SMN1; SMN2HPGDHTTLMNAALDH1A1 | |
| Bromide SCHEMBL6024516 | 0.69 | HDAC3 (0.51) | NPC1HTTRAB9ALMNAALDH1A1 | |
| SCHEMBL9234314 | 0.68 | TDP1 (0.44) | SMN1; SMN2NPC1HPGDTDP1TAS1R3 | |
| SCHEMBL5074722 | 0.67 | ALDH1A1 (0.40) | SMN1; SMN2NPC1RAB9APKMTDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4022900-A | Compositions containing 1,2,3,4-tetrahydroisoquinolines used as hypotensive agents | MARION LABORATORIES, INC. (US) | 1977-05-10 | — | — | US | disclosed |