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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA2 | P16389 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KCNA3 | P22001 | 7/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.37 |
| ▸ | CHRNA10 | Q9GZZ6 | 3/20 | 0.37 |
| ▸ | CHRNA9 | Q9UGM1 | 3/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.36 |
| ▸ | KCNA4 | P22459 | 2/20 | 0.36 |
| ▸ | KCNA1 | Q09470 | 2/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31117604 | 0.85 | KCNA2 (0.57) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 | |
| SCHEMBL7893642 | 0.72 | KCNA2 (0.58) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 | |
| SCHEMBL20278630 | 0.71 | KCNA2 (0.56) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 | |
| SCHEMBL4188097 | 0.71 | KCNA2 (0.57) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 | |
| Hydrochloric Acid SCHEMBL9222829 | 0.67 | KCNA2 (0.54) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 | |
| Bromide SCHEMBL4319744 | 0.65 | KCNA2 (0.46) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 | |
| SCHEMBL3014054 | 0.64 | KCNA2 (1.00) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 | |
| SCHEMBL3519659 | 0.64 | KCNA2 (0.47) | KCNA2CYP1A1CYP1A2CYP1B1ABCB1 | |
| SCHEMBL3735925 | 0.62 | CYP1A2 (0.51) | CYP1A2MAPTKDM4ECYP3A4HPGD | |
| SCHEMBL2799113 | 0.60 | KCNA3 (0.63) | KCNA2CYP1A1CYP1A2CYP1B1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5919935-A | Psoralen sensitizers for viral inactivation | THE OHIO STATE RESEARCH FOUNDATION (US) | 1999-07-06 | — | — | US | claimed |
| WO-1998022468-A1 | PSORALEN SENSITIZERS FOR VIRAL INACTIVATION | OHIO STATE RESEARCH FOUNDATION (US) | 1998-05-28 | — | — | WO | claimed |
| 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 |