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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | NPC1 | O15118 | 4/20 | 0.64 |
| ▸ | RAB9A | P51151 | 4/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | GAA | P10253 | 2/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | METAP2 | P50579 | 1/20 | 0.57 |
| ▸ | METAP1 | P53582 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL5311233 | 0.83 | NPC1 (0.51) | CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL419202 | 0.81 | CYP1A2 (0.71) | CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL1033862 | 0.80 | CYP1A2 (0.49) | CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL5315546 | 0.80 | SCD (0.51) | CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL416630 | 0.80 | ALOX15 (0.67) | CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2 | |
| Bromide SCHEMBL27891481 | 0.80 | NPC1 (0.70) | CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL5206561 | 0.80 | CYP1A2 (1.00) | CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL3278951 | 0.80 | CYP1A2 (0.73) | CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL11861757 | 0.79 | CYP1A2 (0.47) | CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL1935233 | 0.79 | CYP1A2 (0.50) | CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102942536-A | 4-tertiary butyl-5-(1-aryl-2-ethyl nitrate)-2-amido-thiazole with insecticidal activity and preparation method thereof | UNIV HUNAN | 2013-02-27 | — | — | CN | disclosed |