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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.51 |
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | FLT3 | P36888 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12569396 | 0.83 | TAAR1 (0.57) | KDM4ECYP1A2LMNANPC1MAPT | |
| Hydrochloric Acid SCHEMBL11267773 | 0.83 | LMNA (0.49) | KDM4ECYP1A2CYP3A4LMNANPC1 | |
| SCHEMBL27740504 | 0.81 | CYP1A2 (0.59) | KDM4ECYP1A2CYP3A4LMNANPC1 | |
| SCHEMBL27348013 | 0.81 | ACHE (0.70) | CYP3A4LMNAACHETAAR1 | |
| Hydrochloric Acid SCHEMBL11284508 | 0.80 | LMNA (0.41) | KDM4ECYP1A2CYP3A4LMNANPC1 | |
| SCHEMBL10457695 | 0.80 | CA12 (0.51) | KDM4ECYP1A2CYP3A4LMNANPC1 | |
| SCHEMBL30595409 | 0.79 | CA12 (0.65) | KDM4ECYP3A4LMNATP53MAPT | |
| SCHEMBL3974361 | 0.79 | CA12 (0.65) | KDM4ECYP3A4LMNATP53MAPT | |
| SCHEMBL13422245 | 0.79 | THRB (0.55) | KDM4ECYP1A2CYP3A4LMNANPC1 | |
| Bromide SCHEMBL11271654 | 0.79 | HTR2A (0.55) | SLC6A2SLC6A3FLT3CA12CA9 |
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-4327022-A | Heterocyclic alkyl naphthols | STERLING DRUG INC. (US) | 1982-04-27 | — | — | US | disclosed |
| US-4169108-A | 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols | STERLING DRUG INC. (US) | 1979-09-25 | — | — | US | disclosed |