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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 6/20 | 0.60 |
| ▸ | ADRB1 known ✓ | P08588 | 4/20 | 0.60 |
| ▸ | ADRB3 known ✓ | P13945 | 3/20 | 0.60 |
| ▸ | KDM1A | O60341 | 3/20 | 0.56 |
| ▸ | DRD2 | P14416 | 2/20 | 0.51 |
| ▸ | DRD4 | P21917 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ABL1 | P00519 | 1/20 | 0.51 |
| ▸ | ALPL | P05186 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.51 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11063031 | 0.87 | KDM1A (0.64) | ADRB2ADRB1ADRB3KDM1ADRD2 | |
| Hydrochloric Acid SCHEMBL11065577 | 0.85 | ADRB2 (0.56) | ADRB2ADRB1ADRB3KDM1ADRD2 | |
| Hydrochloric Acid SCHEMBL11068702 | 0.85 | TBXA2R (0.65) | ADRB2ADRB1ADRB3KDM1ADRD2 | |
| Hydrochloric Acid SCHEMBL11066582 | 0.85 | KDM1A (0.56) | ADRB2ADRB1ADRB3KDM1ADRD2 | |
| Hydrochloric Acid SCHEMBL11070109 | 0.83 | ADRB2 (0.57) | ADRB2ADRB1ADRB3KDM1ADRD2 | |
| Hydrochloric Acid SCHEMBL11070221 | 0.82 | ADRB2 (0.57) | ADRB2ADRB1ADRB3KDM1ADRD2 | |
| SCHEMBL11068760 | 0.81 | ADRB2 (0.45) | ADRB2ADRB1ADRB3KDM1AMEN1 | |
| Hydrochloric Acid SCHEMBL11066384 | 0.81 | KMT2A (0.54) | KMT2AMAOA | |
| Hydrochloric Acid SCHEMBL11066585 | 0.80 | TBXA2R (0.69) | ADRB2ADRB1ADRB3KDM1ADRD2 | |
| SCHEMBL13165578 | 0.79 | DRD2 (0.80) | ADRB2ADRB1ADRB3KDM1ADRD2 |
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-4447436-A | 1,2,3,4-Tetrahydroisoquinolines 6.10,7,8 dihydroxy substitute-1-methylanilino and use as smooth muscle relaxants | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1984-05-08 | — | — | US | disclosed |
| US-4220647-A | MUSCLE RELAXANTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1980-09-02 | — | — | US | disclosed |