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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 12/20 | 0.51 |
| ▸ | ADRB1 known ✓ | P08588 | 6/20 | 0.51 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | CASR | P41180 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10909213 | 0.99 | ADRB2 (0.52) | ADRB2ADRB1ALDH1A1HTR1ATHPO | |
| SCHEMBL8855343 | 0.99 | ADRB2 (0.52) | ADRB2ADRB1ALDH1A1HTR1ATHPO | |
| Bromide SCHEMBL11135620 | 0.95 | ADRB2 (0.50) | ADRB2ADRB1CASR | |
| SCHEMBL11132431 | 0.93 | ADRB2 (0.51) | ADRB2ADRB1CASR | |
| SCHEMBL11137221 | 0.93 | ADRB2 (0.51) | ADRB2ADRB1CASR | |
| Hydrochloric Acid SCHEMBL11134714 | 0.92 | ADRB2 (0.53) | ADRB2ADRB1CASR | |
| Hydrochloric Acid SCHEMBL11134717 | 0.92 | ADRB2 (0.53) | ADRB2ADRB1CASR | |
| SCHEMBL8855348 | 0.92 | ADRB2 (0.55) | ADRB2ADRB1ALDH1A1HTR1ATHPO | |
| Hydrochloric Acid SCHEMBL8855375 | 0.90 | ADRB2 (0.56) | ADRB2ADRB1ALDH1A1HTR1ATHPO | |
| Acetic Acid SCHEMBL11451850 | 0.88 | ADRB2 (0.50) | ADRB2ADRB1SMN1; SMN2TDP1KDM4E |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5691385-A | PHENETHANOLAMINES | ELI LILLY AND COMPANY (US) | 1997-11-25 | — | — | US | disclosed |
| US-5643967-A | ANIMAL GROWTH REGULATORS OF BETA-PHENETHANOLAMINES FOR FEED EFFICIENCY | ELI LILLY AND COMPANY (US) | 1997-07-01 | — | — | US | disclosed |
| US-5631298-A | B-PHENETHANOLAMINES | ELI LILLY AND COMPANY (US) | 1997-05-20 | — | — | US | disclosed |
| US-4992473-A | Beta-phenethanolamines | ELI LILLY AND COMPANY (US) | 1991-02-12 | — | — | US | disclosed |
| US-4849453-A | ANIMAL GROWTH REGULATORS | ELI LILLY AND COMPANY (US) | 1989-07-18 | — | — | US | disclosed |
| EP-0117647-B1 | IMPROVEMENTS IN OR RELATING TO PHENETHANOLAMINES | ELI LILLY AND COMPANY (US) | 1988-08-17 | — | — | EP | disclosed |
| US-4734437-A | PHENETHANOLAMINES | ELI LILLY AND COMPANY (US) | 1988-03-29 | — | — | US | disclosed |
| US-4690951-A | B-PHENETHANGLAMINES; FEED EFFICIENCY AND LEANESS | ELI LILLY AND COMPANY (US) | 1987-09-01 | — | — | US | disclosed |
| EP-0117647-A1 | Improvements in or relating to phenethanolamines | ELI LILLY AND COMPANY (US) | 1984-09-05 | — | — | EP | disclosed |