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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL833937 | 0.97 | — | — | |
| Iodide SCHEMBL8772817 | 0.94 | TSHR (0.47) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| Bromide SCHEMBL1446266 | 0.79 | TSHR (0.42) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| Hydrochloric Acid SCHEMBL1445738 | 0.74 | TSHR (0.42) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL6178163 | 0.72 | — | — | |
| SCHEMBL1005644 | 0.72 | — | — | |
| SCHEMBL7483367 | 0.72 | ALDH1A1 (0.48) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| 1,2-Dichlorobenzene SCHEMBL28149791 | 0.71 | — | — | |
| Bromide SCHEMBL362697 | 0.70 | TSHR (0.45) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| 1,2-Dichlorobenzene SCHEMBL7440612 | 0.68 | TSHR (0.83) | TSHRLMNAALDH1A1CYP2A6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2611805-A1 | FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT | Takeda Pharmaceutical Company Limited (JP) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012029991-A1 | FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-08 | — | — | WO | disclosed |