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 | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | LAP3 | P28838 | 2/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CETP | P11597 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | UBE2N | P61088 | 1/20 | 0.38 |
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 SCHEMBL4950781 | 1.00 | OPRM1 (0.43) | OPRM1SPHK1CYP2D6LMNATP53 | |
| SCHEMBL4953435 | 0.98 | OPRM1 (0.44) | OPRM1SPHK1CYP2D6LMNATP53 | |
| SCHEMBL4946939 | 0.98 | OPRM1 (0.44) | OPRM1SPHK1CYP2D6LMNATP53 | |
| SCHEMBL11897441 | 0.98 | OPRM1 (0.44) | OPRM1SPHK1CYP2D6LMNATP53 | |
| SCHEMBL4951440 | 0.98 | OPRM1 (0.44) | OPRM1SPHK1CYP2D6LMNATP53 | |
| SCHEMBL4951435 | 0.98 | OPRM1 (0.44) | OPRM1SPHK1CYP2D6LMNATP53 | |
| Bromide SCHEMBL1267912 | 0.98 | OPRM1 (0.44) | OPRM1SPHK1CYP2D6LMNATP53 | |
| SCHEMBL3306797 | 0.96 | OPRM1 (0.46) | OPRM1SPHK1CYP2D6LMNATP53 | |
| SCHEMBL9771392 | 0.89 | OPRM1 (0.44) | OPRM1SPHK1CYP2D6LMNATP53 | |
| SCHEMBL372711 | 0.89 | OPRM1 (0.44) | OPRM1SPHK1CYP2D6LMNATP53 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7264653-B2 | Methods for inhibiting hydrate blockage in oil and gas pipelines using simple quaternary ammonium and phosphonium compounds | CHAMPION TECHNOLOGIES, INC. (US) | 2007-09-04 | — | — | US | claimed |
| WO-2005042675-A2 | METHODS FOR INHIBITING HYDRATE BLOCKAGE IN OIL AND GAS PIPELINES USING SIMPLE QUATERNARY AMMONIUM AND PHOSPHONIUM COMPOUNDS | CHAMPION TECHNOLOGIES, INC. (US) | 2005-05-12 | — | — | WO | claimed |
| US-20050081714-A1 | Methods for inhibiting hydrate blockage in oil and gas pipelines using simple quaternary ammonium and phosphonium compounds | HARBISON-FISCHER, INC. | 2005-04-21 | — | — | US | claimed |
| US-7381689-B2 | Methods for inhibiting hydrate blockage in oil and gas pipelines using amide compounds | CHAMPION TECHNOLOGIES, INC. (US) | 2008-06-03 | — | — | US | disclosed |
| US-7264653-B2 | Methods for inhibiting hydrate blockage in oil and gas pipelines using simple quaternary ammonium and phosphonium compounds | CHAMPION TECHNOLOGIES, INC. (US) | 2007-09-04 | — | — | US | disclosed |
| WO-2005042675-A2 | METHODS FOR INHIBITING HYDRATE BLOCKAGE IN OIL AND GAS PIPELINES USING SIMPLE QUATERNARY AMMONIUM AND PHOSPHONIUM COMPOUNDS | CHAMPION TECHNOLOGIES, INC. (US) | 2005-05-12 | — | — | WO | disclosed |
| US-20050081714-A1 | Methods for inhibiting hydrate blockage in oil and gas pipelines using simple quaternary ammonium and phosphonium compounds | HARBISON-FISCHER, INC. | 2005-04-21 | — | — | US | disclosed |
| US-20050085676-A1 | Methods for inhibiting hydrate blockage in oil and gas pipelines using betaines and amine oxides | CHAMPION TECHNOLOGIES, INC. | 2005-04-21 | — | — | US | disclosed |
| US-20050085675-A1 | Methods for inhibiting hydrate blockage in oil and gas pipelines using ester compounds | CHAMPION TECHNOLOGIES, INC. | 2005-04-21 | — | — | US | disclosed |
| US-20050085396-A1 | Methods for inhibiting hydrate blockage in oil and gas pipelines using amino alcohols and ester compounds | CHAMPION TECHNOLOGIES, INC. | 2005-04-21 | — | — | US | disclosed |
| US-20050081432-A1 | Methods for inhibiting hydrate blockage in oil and gas pipelines using amide compounds | CLARIANT INTERNATIONAL LTD. (CH) | 2005-04-21 | — | — | US | disclosed |