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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 4/20 | 0.48 |
| ▸ | FDPS | P14324 | 2/20 | 0.48 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL19329912 | 1.00 | SMPD1 (0.48) | SMPD1FDPSDNM1TSHRTHRB | |
| Bromide SCHEMBL1967597 | 1.00 | SMPD1 (0.48) | SMPD1FDPSDNM1TSHRTHRB | |
| Bromide SCHEMBL6257335 | 1.00 | SMPD1 (0.48) | SMPD1FDPSDNM1TSHRTHRB | |
| Bromide SCHEMBL10697234 | 1.00 | SMPD1 (0.48) | SMPD1FDPSDNM1TSHRTHRB | |
| Bromide SCHEMBL1728546 | 1.00 | SMPD1 (0.48) | SMPD1FDPSDNM1TSHRTHRB | |
| Bromide SCHEMBL10693787 | 1.00 | SMPD1 (0.48) | SMPD1FDPSDNM1TSHRTHRB | |
| Bromide SCHEMBL5088567 | 1.00 | SMPD1 (0.48) | SMPD1FDPSDNM1TSHRTHRB | |
| Bromide SCHEMBL10696126 | 1.00 | SMPD1 (0.48) | SMPD1FDPSDNM1TSHRTHRB | |
| Bromide SCHEMBL6258453 | 1.00 | SMPD1 (0.48) | SMPD1FDPSDNM1TSHRTHRB | |
| Bromide SCHEMBL335687 | 1.00 | SMPD1 (0.48) | SMPD1FDPSDNM1TSHRTHRB |
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-114685274-A | Esterification method for preparing 4-methyl chloroacetoacetate | 江西迪赛诺制药有限公司 | 2022-07-01 | — | — | CN | claimed |
| CN-114685274-A | Esterification method for preparing 4-methyl chloroacetoacetate | 江西迪赛诺制药有限公司 | 2022-07-01 | — | — | CN | disclosed |
| EP-0268261-A1 | Process for producing 1-hydrocarbyl mercaptans | PHILLIPS PETROLEUM COMPANY (US) | 1988-05-25 | — | — | EP | disclosed |