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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.55 |
| ▸ | MGAM | O43451 | 15/20 | 0.54 |
| ▸ | GAA | P10253 | 15/20 | 0.54 |
| ▸ | SI | P14410 | 15/20 | 0.54 |
| ▸ | MGAM2 | Q2M2H8 | 15/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | CBFB | Q13951 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL353891 | 0.98 | PARP1 (0.56) | PARP1MGAMGAASIMGAM2 | |
| SCHEMBL20936149 | 0.81 | PARP1 (0.56) | PARP1MGAMGAASIMGAM2 | |
| SCHEMBL1170892 | 0.81 | MGAM (0.71) | MGAMGAASIMGAM2ESR1 | |
| SCHEMBL4692683 | 0.78 | MGAM (0.53) | MGAMGAASIMGAM2ESR1 | |
| SCHEMBL727228 | 0.78 | MGAM (0.53) | MGAMGAASIMGAM2ESR1 | |
| SCHEMBL110724 | 0.78 | MGAM (0.53) | MGAMGAASIMGAM2ESR1 | |
| SCHEMBL17801881 | 0.78 | MGAM (0.53) | MGAMGAASIMGAM2ESR1 | |
| SCHEMBL3424862 | 0.78 | MGAM (0.60) | MGAMGAASIMGAM2ESR1 | |
| SCHEMBL3109602 | 0.78 | MGAM (0.60) | MGAMGAASIMGAM2ESR1 | |
| SCHEMBL6139625 | 0.78 | MGAM (0.60) | MGAMGAASIMGAM2ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007071686-A1 | COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, AN OXIDATION BASE AND A PARTICULAR COUPLER | L'ORÉAL (FR) | 2007-06-28 | — | — | WO | claimed |