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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | MGAM | O43451 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | SI | P14410 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | DHODH | Q02127 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL31665418 | 0.77 | KMT2A (0.61) | HPGDKMT2AALDH1A1MEN1NPC1 | |
| SCHEMBL11837121 | 0.77 | ALDH1A1 (0.62) | HPGDKMT2AALDH1A1MEN1NPC1 | |
| SCHEMBL4920918 | 0.75 | RAB9A (0.80) | HPGDKMT2AALDH1A1MEN1NPC1 | |
| SCHEMBL24072353 | 0.75 | CYP3A4 (0.81) | HPGDALDH1A1NPC1GAARAB9A | |
| SCHEMBL30339046 | 0.75 | CYP3A4 (0.81) | HPGDALDH1A1NPC1GAARAB9A | |
| SCHEMBL3181018 | 0.75 | ALDH1A1 (0.67) | HPGDKMT2AALDH1A1MEN1NPC1 | |
| SCHEMBL29908280 | 0.75 | HPGD (0.67) | HPGDALDH1A1NPC1GAARAB9A | |
| SCHEMBL29908279 | 0.75 | HPGD (0.67) | HPGDALDH1A1NPC1GAARAB9A | |
| Bromide SCHEMBL27908055 | 0.74 | MAPK1 (0.74) | HPGDKMT2AALDH1A1MEN1NPC1 | |
| SCHEMBL27602570 | 0.73 | TSHR (0.68) | HPGDKMT2AALDH1A1MEN1NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102964312-A | 4-tertiary butyl-5-(1-aryl-2-nitre ethyl)-2-acylamino thiazole as well as preparation method and application thereof | UNIV HUNAN | 2013-03-13 | — | — | CN | disclosed |
| 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 |
| CN-102936229-A | 4-tertiary butyl-5-benzyl-2-acetyl aminothiazole with insecticidal activity and preparation method | UNIV HUNAN | 2013-02-20 | — | — | CN | disclosed |