Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromobenzene. 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 | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HK1 | P19367 | 1/20 | 0.40 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| Bromobenzene SCHEMBL27832199 | 0.99 | NOS1 (0.56) | NOS1MAPTRAB9ASMN1; SMN2NPC1 | |
| Toluene SCHEMBL27812100 | 0.87 | NOS1 (0.56) | NOS1MAPTRAB9ASMN1; SMN2NPC1 | |
| Chlorobenzene SCHEMBL27832206 | 0.86 | NOS1 (0.55) | NOS1MAPTRAB9ASMN1; SMN2NPC1 | |
| Phenol SCHEMBL27832204 | 0.86 | NOS1 (0.55) | NOS1MAPTRAB9ASMN1; SMN2NPC1 | |
| Toluene SCHEMBL27832196 | 0.85 | NOS1 (0.58) | NOS1MAPTRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL2373929 | 0.84 | NOS1 (0.53) | NOS1MAPTRAB9ASMN1; SMN2NPC1 | |
| 1,2-Dichlorobenzene SCHEMBL27812111 | 0.84 | NOS1 (0.53) | NOS1MAPTRAB9ASMN1; SMN2NPC1 | |
| Phenol SCHEMBL27812110 | 0.84 | NOS1 (0.56) | NOS1MAPTRAB9ASMN1; SMN2NPC1 | |
| Chlorobenzene SCHEMBL27812104 | 0.84 | NOS1 (0.56) | NOS1MAPTRAB9ASMN1; SMN2NPC1 | |
| Pyridine SCHEMBL27812096 | 0.82 | NOS1 (0.50) | NOS1MAPTRAB9ASMN1; SMN2NPC1 |
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-102070556-A | 5-benzyl-4-alkyl-2-aminothiazole as well as preparation and application of 5-benzyl-4-alkyl-2-aminothiazole | UNIV HUNAN | 2011-05-25 | — | — | CN | disclosed |