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 | 1/20 | 0.64 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.64 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.64 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.64 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.64 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.64 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.64 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.64 |
| ▸ | MAOA | P21397 | 11/20 | 0.64 |
| ▸ | MAOB | P27338 | 11/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CASP1 | P29466 | 2/20 | 0.64 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.64 |
| ▸ | ESR1 | P03372 | 1/20 | 0.64 |
| ▸ | PGR | P06401 | 1/20 | 0.64 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.64 |
| ▸ | NQO2 | P16083 | 1/20 | 0.64 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.64 |
| ▸ | PDE4A | P27815 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL5086840 | 0.99 | MAOA (0.65) | MAOAMAOBKDM4ECYP1A2CASP1 | |
| SCHEMBL4728309 | 0.83 | MAOA (0.63) | MAOAMAOBKDM4ECYP1A2CASP1 | |
| SCHEMBL11544720 | 0.81 | IDO1 (0.49) | MAOAMAOBKDM4ECYP1A2CASP1 | |
| Phosphoric Acid SCHEMBL11546710 | 0.80 | CASP6 (0.67) | MAOAMAOBKDM4ECYP1A2CASP1 | |
| Pyrophosphoric Acid SCHEMBL11546706 | 0.79 | CASP6 (0.61) | MAOAMAOBKDM4ECYP1A2CASP1 | |
| Primaquine SCHEMBL22207 | 0.78 | KDM4E (1.00) | MAOAMAOBKDM4ECYP1A2CASP1 | |
| Primaquine SCHEMBL29409423 | 0.78 | KDM4E (1.00) | MAOAMAOBKDM4ECYP1A2CASP1 | |
| Primaquine SCHEMBL22208 | 0.78 | KDM4E (1.00) | MAOAMAOBKDM4ECYP1A2CASP1 | |
| Primaquine SCHEMBL12599100 | 0.78 | KDM4E (1.00) | MAOAMAOBKDM4ECYP1A2CASP1 | |
| Primaquine SCHEMBL979493 | 0.77 | KDM4E (0.98) | MAOAMAOBKDM4ECYP1A2CASP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4167638-A | Process for production of 8-NHR quinolines | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1979-09-11 | — | — | US | disclosed |