Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA2 | P16389 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | KCNA3 | P22001 | 9/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3519659 | 0.99 | KCNA2 (0.47) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 | |
| SCHEMBL20278630 | 0.77 | KCNA2 (0.56) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 | |
| SCHEMBL7893642 | 0.76 | KCNA2 (0.58) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 | |
| SCHEMBL4188097 | 0.72 | KCNA2 (0.57) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 | |
| SCHEMBL31117604 | 0.72 | KCNA2 (0.57) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 | |
| Hydrochloric Acid SCHEMBL9222829 | 0.72 | KCNA2 (0.54) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 | |
| SCHEMBL4187228 | 0.72 | CYP3A4 (0.80) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 | |
| SCHEMBL4268685 | 0.70 | KCNA2 (0.60) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 | |
| SCHEMBL4261444 | 0.68 | KCNA2 (0.67) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 | |
| SCHEMBL13109286 | 0.67 | MAOA (0.58) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998022468-A1 | PSORALEN SENSITIZERS FOR VIRAL INACTIVATION | OHIO STATE RESEARCH FOUNDATION (US) | 1998-05-28 | — | — | WO | claimed |
| WO-2009018465-A1 | VACCINATION WITH KILLED BUT METABOLICALLY ACTIVE (KBMA) PROTOZOANS WITH TOLL-LIKE RECEPTOR AGONISTS | LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) | 2009-02-05 | — | — | WO | disclosed |
| US-5919935-A | Psoralen sensitizers for viral inactivation | THE OHIO STATE RESEARCH FOUNDATION (US) | 1999-07-06 | — | — | US | disclosed |
| WO-1998022468-A1 | PSORALEN SENSITIZERS FOR VIRAL INACTIVATION | OHIO STATE RESEARCH FOUNDATION (US) | 1998-05-28 | — | — | WO | disclosed |