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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9813441 | 0.83 | MEN1 (0.38) | — | |
| SCHEMBL9813460 | 0.83 | CYP4F2 (0.40) | CA1CA2CA9 | |
| SCHEMBL9699720 | 0.83 | TAAR1 (0.36) | IDO1SIGMAR1 | |
| SCHEMBL9185281 | 0.81 | IDO1 (0.42) | IDO1SMN1; SMN2CA1CA2CA9 | |
| SCHEMBL9198674 | 0.81 | TAAR1 (0.42) | IDO1SIGMAR1 | |
| SCHEMBL9699643 | 0.80 | MEN1 (0.30) | — | |
| SCHEMBL9699540 | 0.80 | — | — | |
| SCHEMBL9566318 | 0.77 | TAAR1 (0.39) | IDO1CA9 | |
| SCHEMBL10392875 | 0.76 | VDR (0.31) | — | |
| SCHEMBL9700881 | 0.75 | S1PR2 (0.31) | IDO1 |
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-5153327-A | 7-Oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease | E. R. SQUIBB & SONS, INC. (US) | 1992-10-06 | — | — | US | disclosed |
| US-5100889-A | Thromboxane A2 receptor antagonists, thromboxane synthetase inhibitor | E. R. SQUIBB & SONS, INC. (US) | 1992-03-31 | — | — | US | disclosed |