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 | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.94 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | THPO | P40225 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | QDPR | P09417 | 1/20 | 0.39 |
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 SCHEMBL11102755 | 0.99 | PARP1 (0.97) | PARP1MAPK1LMNAKDM4EALDH1A1 | |
| SCHEMBL11098185 | 0.97 | PARP1 (1.00) | PARP1MAPK1LMNAKDM4EALDH1A1 | |
| Bromide SCHEMBL11098770 | 0.88 | PARP1 (0.78) | PARP1MAPK1LMNAKDM4EALDH1A1 | |
| Zelandopam SCHEMBL8904707 | 0.87 | PARP1 (0.72) | PARP1MAPK1LMNAKDM4EALDH1A1 | |
| Zelandopam SCHEMBL8904866 | 0.87 | PARP1 (0.72) | PARP1MAPK1LMNAKDM4EALDH1A1 | |
| Zelandopam SCHEMBL8904713 | 0.87 | PARP1 (0.72) | PARP1MAPK1LMNAKDM4EALDH1A1 | |
| Bromide SCHEMBL11266282 | 0.86 | PARP1 (0.76) | PARP1MAPK1LMNAKDM4EALDH1A1 | |
| Bromide SCHEMBL11274798 | 0.86 | PARP1 (0.76) | PARP1MAPK1LMNAKDM4EALDH1A1 | |
| Bromide SCHEMBL8904196 | 0.86 | PARP1 (0.76) | PARP1MAPK1LMNAKDM4EALDH1A1 | |
| Bromide SCHEMBL11105005 | 0.86 | PARP1 (0.76) | PARP1MAPK1LMNAKDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0040956-B1 | 8-SUBSTITUTED 4-(3,4-DIHYDROXYPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINES | SMITHKLINE BECKMAN CORPORATION (US) | 1984-10-31 | — | — | EP | disclosed |
| US-4340600-A | Renal dilating methods and compositions using 4-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydroisoquinolines | SMITHKLINE CORPORATION (US) | 1982-07-20 | — | — | US | disclosed |
| EP-0040956-A1 | 8-Substituted 4-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydroisoquinolines | SMITHKLINE BECKMAN CORPORATION (US) | 1981-12-02 | — | — | EP | disclosed |