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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | DRD2 | P14416 | 4/20 | 0.53 |
| ▸ | HTR7 | P34969 | 3/20 | 0.52 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10724890 | 0.98 | GAA (0.62) | GAAKDM4EDRD2SIGMAR1HTR7 | |
| SCHEMBL29240322 | 0.93 | KDM4E (0.69) | GAAKDM4EDRD2SIGMAR1HTR7 | |
| Bromide SCHEMBL11216847 | 0.90 | DRD2 (0.66) | GAAKDM4EDRD2SIGMAR1HTR7 | |
| SCHEMBL14459608 | 0.81 | KDM4E (0.88) | GAAKDM4EDRD2SIGMAR1DRD4 | |
| SCHEMBL8223307 | 0.81 | KDM4E (0.62) | GAAKDM4EDRD2SIGMAR1DRD4 | |
| SCHEMBL29258877 | 0.81 | KDM4E (0.69) | GAAKDM4EDRD2SIGMAR1HTR7 | |
| SCHEMBL155128 | 0.81 | SIGMAR1 (0.79) | GAAKDM4EDRD2SIGMAR1DRD3 | |
| SCHEMBL24452939 | 0.80 | MAPT (0.67) | GAAKDM4EDRD2DRD4MAPT | |
| SCHEMBL3197073 | 0.80 | CYP2D6 (0.63) | GAAKDM4EDRD2SIGMAR1HTR7 | |
| SCHEMBL17429549 | 0.80 | HRH3 (0.60) | GAAKDM4EDRD2DRD4MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4358449-A | 1-(1,3-Dioxolan-2-ylmethyl)-1H-1,2,4-triazoles and compositions | JANSSEN PHARMACEUTICA, N.V. (BE) | 1982-11-09 | — | — | US | disclosed |
| US-4335125-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1982-06-15 | — | — | US | disclosed |
| US-4223036-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-09-16 | — | — | US | disclosed |
| US-4144346-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1979-03-13 | — | — | US | disclosed |