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 | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.40 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | SCN1A | P35498 | 2/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | SCN4A | P35499 | 1/20 | 0.40 |
| ▸ | MC3R | P41968 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1827736 | 0.97 | CYP3A4 (0.43) | CYP3A4TSHRRECQLMAPTSCN3A | |
| SCHEMBL8762491 | 0.84 | CYP3A4 (0.47) | CYP3A4TSHRRECQLMAPTSCN3A | |
| SCHEMBL13497804 | 0.82 | CD44 (0.46) | CYP3A4TSHRRECQLMAPTSCN3A | |
| SCHEMBL11663327 | 0.82 | MAPK14 (0.49) | CYP3A4TSHRRECQLMAPTMEN1 | |
| SCHEMBL4349574 | 0.82 | TRPA1 (0.46) | CYP3A4TSHRRECQLMAPTSCN3A | |
| SCHEMBL11656144 | 0.82 | ACHE (0.44) | CYP3A4TSHRRECQLMAPTSCN3A | |
| SCHEMBL11662307 | 0.82 | ALDH1A1 (0.44) | CYP3A4TSHRRECQLMAPTSCN3A | |
| SCHEMBL710531 | 0.82 | KCNH2 (0.51) | MAPTMEN1KMT2AALDH1A1SCN5A | |
| Potassium Ion SCHEMBL11691036 | 0.81 | MAPT (0.39) | CYP3A4TSHRRECQLMAPTSCN3A | |
| SCHEMBL5840221 | 0.79 | MAPT (0.54) | CYP3A4TSHRMAPTSCN3ALMNA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103025770-B | Catalyst component for the polymerization of olefins having a guanidinate ligand | DSM IP ASSETS BV | 2015-06-24 | — | — | CN | disclosed |
| US-8987393-B2 | Catalyst component for the polymerization of olefins having a guanidinate ligand | LANXESS ELASTOMERS B.V. (NL) | 2015-03-24 | — | — | US | disclosed |
| CN-103025770-A | Catalyst component for the polymerization of olefins having a guanidinate ligand | DSM IP ASSETS BV | 2013-04-03 | — | — | CN | disclosed |
| US-20130079478-A1 | CATALYST COMPONENT FOR THE POLYMERIZATION OF OLEFINS HAVING A GUANIDINATE LIGAND | LANXESS ELASTOMERS B.V. | 2013-03-28 | — | — | US | disclosed |
| EP-2496612-A1 | CATALYST COMPONENT FOR THE POLYMERIZATION OF OLEFINS HAVING A GUANIDINATE LIGAND | Lanxess Elastomers B.V. (NL) | 2012-09-12 | — | — | EP | disclosed |
| WO-2011054927-A1 | CATALYST COMPONENT FOR THE POLYMERIZATION OF OLEFINS HAVING A GUANIDINATE LIGAND | DSM IP ASSETS B.V. (NL) | 2011-05-12 | — | — | WO | disclosed |
| EP-2319874-A1 | Catalyst component for the polymerization of olefins having a guanidinate ligand | DSM IP Assets B.V. (NL) | 2011-05-11 | — | — | EP | disclosed |