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 | 2/20 | 0.36 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 7/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | ESRRG | P62508 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11275540 | 0.98 | TAAR1 (0.42) | TAAR1ESR1ESR2CYP1A2SHBG | |
| SCHEMBL10224683 | 0.82 | ESR1 (0.44) | ESR1ESR2CYP1A2SHBGCYP3A4 | |
| Hydrochloric Acid SCHEMBL11280093 | 0.81 | TAAR1 (0.42) | TAAR1ESR1SHBGCYP3A4HSD17B10 | |
| SCHEMBL6823155 | 0.78 | TAAR1 (0.57) | TAAR1CYP1A2CYP3A4HSD17B10SLC6A2 | |
| SCHEMBL18161365 | 0.77 | LMNA (0.56) | ESR1ESR2CYP1A2CYP3A4HSD17B10 | |
| SCHEMBL20408454 | 0.77 | ESR1 (0.42) | ESR1ESR2CYP1A2SHBGCYP3A4 | |
| SCHEMBL144362 | 0.77 | SHBG (0.61) | TAAR1ESR1ESR2SHBGCYP3A4 | |
| SCHEMBL10040417 | 0.77 | ESR1 (0.45) | ESR1ESR2CYP1A2SHBGCYP3A4 | |
| Hydrochloric Acid SCHEMBL7860072 | 0.77 | TAAR1 (0.55) | TAAR1CYP1A2CYP3A4HSD17B10SLC6A2 | |
| SCHEMBL31015724 | 0.77 | ESR1 (0.45) | ESR1ESR2CYP1A2SHBGCYP3A4 |
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 |