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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.39 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 3/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 SCHEMBL11136046 | 0.95 | DPP4 (0.43) | DPP4ESR1ESR2SSTR4NPC1 | |
| Bromide SCHEMBL8855394 | 0.86 | NPC1 (0.60) | NPC1RAB9ALMNA | |
| SCHEMBL27558796 | 0.81 | SSTR4 (0.51) | SSTR4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL8855293 | 0.79 | PARP10 (0.60) | DPP4RAB9AMAOB | |
| SCHEMBL11133988 | 0.79 | CASR (0.56) | NPC1RAB9ALMNA | |
| SCHEMBL11876143 | 0.77 | TRPV1 (0.47) | ESR1ESR2SSTR4TRPV1ADRB2 | |
| Hydrochloric Acid SCHEMBL7249635 | 0.76 | TRPV1 (0.46) | SSTR4RAB9ATRPV1ADRB2ADRB1 | |
| SCHEMBL11670412 | 0.75 | HPGD (0.44) | HDAC1HDAC8HDAC6NPC1RAB9A | |
| SCHEMBL4400325 | 0.75 | KMT2A (0.50) | NPC1RAB9ALMNA | |
| SCHEMBL13519048 | 0.74 | HSP90AA1 (0.47) | DPP4SSTR4HDAC3HDAC4HDAC1 |
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 |