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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.39 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.67 |
| ▸ | RXRA | P19793 | 2/20 | 0.55 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | HMGCR | P04035 | 2/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | FABP4 | P15090 | 1/20 | 0.38 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29419156 | 0.83 | PRKAA2 (0.77) | PRKAA2RXRANR1I2NR4A2PDE4D | |
| SCHEMBL14753495 | 0.83 | PRKAA2 (0.77) | PRKAA2RXRANR1I2NR4A2PDE4D | |
| SCHEMBL27950491 | 0.82 | PRKAA2 (0.68) | PRKAA2RXRANR1I2NR4A2PDE4D | |
| Methane SCHEMBL27947407 | 0.82 | PRKAA2 (0.72) | PRKAA2RXRANR1I2NR4A2PDE4D | |
| SCHEMBL14114892 | 0.82 | PRKAA2 (0.68) | PRKAA2RXRANR1I2NR4A2PDE4D | |
| SCHEMBL27512912 | 0.82 | PRKAA2 (0.68) | PRKAA2RXRANR1I2NR4A2PDE4D | |
| SCHEMBL526202 | 0.82 | PRKAA2 (0.68) | PRKAA2RXRANR1I2NR4A2PDE4D | |
| SCHEMBL28803542 | 0.82 | PRKAA2 (0.68) | PRKAA2RXRANR1I2NR4A2PDE4D | |
| SCHEMBL14749820 | 0.80 | PRKAA2 (0.77) | PRKAA2RXRANR1I2NR4A2PDE4D | |
| SCHEMBL18696397 | 0.80 | RXRA (0.65) | PRKAA2RXRANR1I2NR4A2PDE4D |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8487105-B2 | Process for preparing pitavastatin, intermediates and pharmaceuctically acceptable salts thereof | MSN LABORATORIES LIMITED (IN) | 2013-07-16 | — | — | US | disclosed |
| WO-2010089770-A2 | IMPROVED PROCESS FOR THE PREPARATION OF HIGHLY PURE (3R,5S)-7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL) QUINOLIN-3-YL]-3,5-DIHYDROXY-6(E)-HEPTENOIC ACID AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF | MSN LABORATORIES LIMITED (IN) | 2010-08-12 | — | — | WO | disclosed |