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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.54 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.54 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | LTB4R | Q15722 | 4/20 | 0.48 |
| ▸ | TBXAS1 | P24557 | 7/20 | 0.48 |
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 SCHEMBL993390 | 0.98 | MAPT (0.63) | MAPTRXFP1HDAC3MAPK1ADRA1A | |
| Bromide SCHEMBL9732524 | 0.95 | HDAC3 (0.61) | MAPTRXFP1HDAC3MAPK1ADRA1A | |
| Bromide SCHEMBL2131203 | 0.86 | MAPT (0.66) | MAPTRXFP1HDAC3MAPK1ADRA1A | |
| SCHEMBL7617985 | 0.84 | MAPT (0.68) | MAPTRXFP1HDAC3MAPK1ADRA1A | |
| Bromide SCHEMBL8658831 | 0.82 | ALOX5 (0.50) | MAPTRXFP1MAPK1TBXAS1 | |
| Bromide SCHEMBL9650134 | 0.81 | HDAC1 (0.67) | MAPTRXFP1HDAC3MAPK1ADRA1A | |
| Bromide SCHEMBL9762632 | 0.81 | LTA4H (0.42) | HDAC3MAPK1ADRA1AHDAC4SLC6A3 | |
| SCHEMBL1197247 | 0.80 | MAPT (0.78) | MAPTRXFP1HDAC3MAPK1ADRA1A | |
| Bromide SCHEMBL9531320 | 0.80 | LPL (0.49) | — | |
| Heptane SCHEMBL11228269 | 0.78 | MAPT (0.59) | MAPTRXFP1HDAC3MAPK1ADRA1A |
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-5043456-A | 6-oxa and thiabicyclo [3.1.0.] compounds | SHIONOGI & CO., LTD. (JP) | 1991-08-27 | — | — | US | disclosed |
| US-5043451-A | Bicyclo (2.2.1.) hept-exo-2-yl and bicyclo (2.2.2.) oct-endo-2-yl compounds | SHIONOGI & CO., LTD. (JP) | 1991-08-27 | — | — | US | disclosed |
| US-5041635-A | 5(Z)-7-(endo-3-benzenesulfonamidobicyclo[2.2.1]hept-exo-2-yl)-5-heptenoic acid, sodium salt | SHIONOGI & CO., LTD. (JP) | 1991-08-20 | — | — | US | disclosed |
| EP-0226346-B1 | BICYCLIC SULFONAMIDE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 1991-08-14 | — | — | EP | disclosed |
| US-4976891-A | Antithrombotic, antivasoconstricting, antibronchoconstricting | SHIONOGI & CO., LTD. (JP) | 1990-12-11 | — | — | US | disclosed |
| US-4960909-A | ANTICOAGULANTS; VASODILATORS; BRONCHODILATOR AGENTS | SHIONOGI & CO., LTD. (JP) | 1990-10-02 | — | — | US | disclosed |
| US-4861913-A | Bicyclic sulfonamide derivatives | SHIONOGI & CO., LTD. (JP) | 1989-08-29 | — | — | US | disclosed |
| US-4420626-A | Dioxatricyclic prostacyclin analogs | E. R. SQUIBB & SONS, INC. (US) | 1983-12-13 | — | — | US | disclosed |
| US-4360685-A | Dioxatricyclic prostacyclin analogs | E. R. SQUIBB & SONS, INC. (US) | 1982-11-23 | — | — | US | disclosed |