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 | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.39 |
| ▸ | RELA | Q04206 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11696371 | 0.98 | CNR1 (0.54) | CNR1CNR2KCNA5KCNH2L3MBTL1 | |
| SCHEMBL11698244 | 0.98 | CNR1 (0.54) | CNR1CNR2KCNA5KCNH2L3MBTL1 | |
| SCHEMBL11698140 | 0.98 | CNR1 (0.54) | CNR1CNR2KCNA5KCNH2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL11698793 | 0.97 | CNR1 (0.53) | CNR1CNR2KCNA5KCNH2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL11701984 | 0.97 | CNR1 (0.53) | CNR1CNR2KCNA5KCNH2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL11700484 | 0.97 | CNR1 (0.53) | CNR1CNR2KCNA5KCNH2L3MBTL1 | |
| SCHEMBL11629499 | 0.97 | CNR1 (0.52) | CNR1CNR2KCNA5KCNH2L3MBTL1 | |
| SCHEMBL11627298 | 0.92 | KCNA5 (0.47) | CNR1CNR2KCNA5KCNH2L3MBTL1 | |
| Sulfuric Acid SCHEMBL11698108 | 0.91 | CNR1 (0.49) | CNR1CNR2KCNA5KCNH2L3MBTL1 | |
| Sulfuric Acid SCHEMBL11701746 | 0.91 | CNR1 (0.49) | CNR1CNR2KCNA5KCNH2L3MBTL1 |
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-4039675-A | α,α-Dialkyl-substituted 3-pyridinemethanols as fungicidal agents | ELI LILLY AND COMPANY (US) | 1977-08-02 | — | — | US | disclosed |
| US-4031073-A | Monoazo pigments containing barbituric acid or thio- or imino-derivatives thereof | CIBA-GEIGY CORPORATION (US) | 1977-06-21 | — | — | US | disclosed |