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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.42 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 4/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.54 |
| ▸ | THPO | P40225 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
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 SCHEMBL9132813 | 0.89 | PARP1 (0.58) | KDM4EHPGDMAPK1MAPTALDH1A1 | |
| SCHEMBL8905545 | 0.88 | PARP1 (0.59) | KDM4EHPGDMAPK1MAPTALDH1A1 | |
| Bromide SCHEMBL8905972 | 0.86 | KDM4E (0.59) | KDM4EHPGDMAPK1MAPTALDH1A1 | |
| SCHEMBL11102977 | 0.80 | PARP1 (0.68) | KDM4EHPGDMAPK1MAPTALDH1A1 | |
| SCHEMBL14494799 | 0.80 | PARP1 (0.68) | KDM4EHPGDMAPK1MAPTALDH1A1 | |
| SCHEMBL22953723 | 0.79 | MAPK1 (0.52) | KDM4EHPGDMAPK1MAPTALDH1A1 | |
| Bromide SCHEMBL8905619 | 0.78 | PARP1 (0.60) | KDM4EHPGDMAPK1MAPTALDH1A1 | |
| SCHEMBL22953429 | 0.77 | MAPK1 (0.53) | KDM4EHPGDMAPK1MAPTALDH1A1 | |
| SCHEMBL29626879 | 0.77 | MAPK1 (0.53) | KDM4EHPGDMAPK1MAPTALDH1A1 | |
| SCHEMBL8904833 | 0.77 | ACHE (0.44) | KDM4EMAPTALDH1A1SMN1; SMN2CYP3A4 |
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-5623074-A | DERIVATIVES OF 7-DIHYDROXYPHENYL-4,5,6,7-TETRAHYDROTHIAZOLO (4,5-C)PYRIDINE WHICH ACT ON DOPAMINE RECEPTORS; NEPHROVASCULAR DILATORS, DIURETICS, SIDE EFFECT REDUCTION | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1997-04-22 | — | — | US | disclosed |
| US-5378849-A | Kidney vasodilators; orally administered | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1995-01-03 | — | — | US | disclosed |
| US-5204468-A | Nephrovascular dilators and diuretics; side effect reduction; administered by mouth | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1993-04-20 | — | — | US | disclosed |
| EP-0286293-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1992-07-01 | — | — | EP | disclosed |
| US-5079256-A | Administering to treat diseases of circulatory organs such as renal/cardiac insufficiency | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1992-01-07 | — | — | US | disclosed |
| US-5077406-A | Cyclization, deprotecting and salt formation | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1991-12-31 | — | — | US | disclosed |
| US-4966904-A | DILUROGENITAL DISORDERS; DILATION OF NEOPHROVASCULAR TRACTS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1990-10-30 | — | — | US | disclosed |
| US-4876261-A | UROGENITAL DISORDERS; NEPHROVASCULAR DILATORS; ACT ON DOPAMINE RECEPTOR | YAMANOUCHI PHARMACEUTICAL CO., LTD. | 1989-10-24 | — | — | US | disclosed |
| EP-0286293-A1 | Substituted tetrahydroisoquinoline compounds, their production, and pharmaceutical compositions containing them | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1988-10-12 | — | — | EP | disclosed |