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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.43 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL705064 | 0.97 | ADRB2 (0.45) | ADRB2ADRB1ADRB3TSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL10569892 | 0.94 | ADRB2 (0.43) | ADRB2ADRB1ADRB3TSHRCYP3A4 | |
| Butane SCHEMBL16827219 | 0.94 | ADRB2 (0.43) | ADRB2ADRB1ADRB3TSHRCYP3A4 | |
| SCHEMBL28187145 | 0.91 | ADRB2 (0.41) | ADRB2ADRB1ADRB3TSHRCYP3A4 | |
| SCHEMBL3299007 | 0.91 | ADRB2 (0.41) | ADRB2ADRB1ADRB3TSHRCYP3A4 | |
| SCHEMBL4305492 | 0.88 | — | — | |
| SCHEMBL1326269 | 0.88 | THRB (0.41) | TSHRCA1CA2THRB | |
| SCHEMBL8769324 | 0.85 | THRB (0.47) | TSHRCYP3A4ALDH1A1SMN1; SMN2CA1 | |
| SCHEMBL8769921 | 0.85 | THRB (0.47) | TSHRCYP3A4ALDH1A1SMN1; SMN2CA1 | |
| SCHEMBL30775004 | 0.85 | THRB (0.47) | TSHRCYP3A4ALDH1A1SMN1; SMN2CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5122490-A | Composed of organomagesium compounds, titanium and vanadium halides, alcohols, halogenated silanes, siloxanes, borates, electron donors and cyclic ether | CHISSO CORPORATION (JP) | 1992-06-16 | — | — | US | disclosed |