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 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 SCHEMBL11287353 | 0.95 | CYP2C9 (0.44) | TAAR1ESR1ESR2HSD17B10HTR3A | |
| Propionic Acid SCHEMBL11276673 | 0.90 | HSD17B10 (0.46) | TAAR1ESR1ESR2HSD17B10CYP2C9 | |
| Acetic Acid SCHEMBL11285074 | 0.87 | CYP2C9 (0.49) | TAAR1HSD17B10CYP2C9TSHRCYP1A2 | |
| SCHEMBL10224687 | 0.82 | HSD17B10 (0.51) | ESR1ESR2HSD17B10CYP2C9CYP1A2 | |
| Bromide SCHEMBL9765277 | 0.79 | TAAR1 (0.58) | TAAR1ESR1ESR2HTR3ACYP2C9 | |
| SCHEMBL12356631 | 0.79 | ESR1 (0.50) | ESR1ESR2HSD17B10CYP2C9TSHR | |
| SCHEMBL1984485 | 0.78 | TAAR1 (0.57) | TAAR1TSHRHIF1ACYP1A2SLC6A2 | |
| SCHEMBL30717250 | 0.78 | TAAR1 (0.57) | TAAR1TSHRHIF1ACYP1A2SLC6A2 | |
| SCHEMBL2740765 | 0.77 | HSD17B10 (0.51) | ESR1ESR2HSD17B10CYP2C9TSHR | |
| SCHEMBL18350082 | 0.77 | HSD17B10 (0.51) | ESR1ESR2HSD17B10CYP2C9TSHR |
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 |