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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.60 |
| ▸ | RAB9A | P51151 | 4/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | CASR | P41180 | 1/20 | 0.52 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11133988 | 0.94 | CASR (0.56) | NPC1RAB9AMAPTCASRALDH1A1 | |
| Bromide SCHEMBL8855285 | 0.86 | DPP4 (0.50) | NPC1RAB9ALMNA | |
| SCHEMBL8855293 | 0.81 | PARP10 (0.60) | RAB9AMAPTALDH1A1GAA | |
| Bromide SCHEMBL11136046 | 0.81 | DPP4 (0.43) | NPC1RAB9AMAPTCASRALOX15 | |
| SCHEMBL27558796 | 0.78 | SSTR4 (0.51) | NPC1RAB9AMAPTCASRALDH1A1 | |
| SCHEMBL21058235 | 0.77 | CASR (0.60) | NPC1CASRALDH1A1MAPK1KMT2A | |
| SCHEMBL1304210 | 0.76 | NPC1 (1.00) | NPC1RAB9AMAPTGPR52ALDH1A1 | |
| SCHEMBL17788610 | 0.76 | ALDH1A1 (0.61) | NPC1MAPTALDH1A1LMNAALOX15 | |
| SCHEMBL6718805 | 0.74 | NPC1 (0.63) | NPC1RAB9AMAPTALDH1A1KMT2A | |
| SCHEMBL4612572 | 0.73 | NPC1 (0.74) | NPC1RAB9AMAPTGPR52ALDH1A1 |
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 |