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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.44 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.41 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | HTR7 | P34969 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4910508 | 0.98 | PAOX (0.69) | PAOXCYP1A2MAPK1SMN1; SMN2HTR7 | |
| SCHEMBL26495613 | 0.96 | PAOX (0.72) | PAOXCYP1A2MAPK1SMN1; SMN2HTR7 | |
| SCHEMBL17268199 | 0.96 | PAOX (0.72) | PAOXCYP1A2MAPK1SMN1; SMN2HTR7 | |
| Hydrochloric Acid SCHEMBL1127764 | 0.96 | PAOX (0.67) | PAOXCYP1A2MAPK1SMN1; SMN2HTR7 | |
| SCHEMBL4009221 | 0.96 | PAOX (0.72) | PAOXCYP1A2MAPK1SMN1; SMN2HTR7 | |
| SCHEMBL4681280 | 0.92 | SMN1; SMN2 (0.67) | PAOXCYP1A2MAPK1SMN1; SMN2HTR7 | |
| Hydrochloric Acid SCHEMBL1128155 | 0.90 | SMN1; SMN2 (0.64) | PAOXCYP1A2MAPK1SMN1; SMN2HTR7 | |
| Hydrochloric Acid SCHEMBL1127753 | 0.90 | SMN1; SMN2 (0.64) | PAOXCYP1A2MAPK1SMN1; SMN2HTR7 | |
| SCHEMBL8380184 | 0.89 | CYP1A2 (0.68) | PAOXCYP1A2MAPK1SMN1; SMN2HTR7 | |
| SCHEMBL26180910 | 0.89 | CYP1A2 (0.68) | PAOXCYP1A2MAPK1SMN1; SMN2HTR7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4025630-A | Anesthesia methods using benzopyrans and esters thereof as pre-anesthesia medication | ABBOTT LABORATORIES (US) | 1977-05-24 | — | — | US | disclosed |
| US-3972880-A | TRANQUILIZER | SHARPS ASSOCIATES (US) | 1976-08-03 | — | — | US | disclosed |
| US-3960871-A | ANTIDEPRESSANT, ANALGESICS, ANTICONVULSANT ANTI-ANXIETY ACTIVITY | SHARPS ASSOCIATES (US) | 1976-06-01 | — | — | US | disclosed |