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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.67 |
| ▸ | MAPT | P10636 | 4/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | PKM | P14618 | 1/20 | 0.67 |
| ▸ | GAA | P10253 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | ESRRB | O95718 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESRRG | P62508 | 2/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL81372 | 0.83 | MAPT (0.47) | KDM4EMAPTALDH1A1PKMGAA | |
| SCHEMBL5744901 | 0.81 | MAPT (0.59) | KDM4EMAPTALDH1A1PKMGAA | |
| SCHEMBL23544863 | 0.81 | MAPT (0.46) | KDM4EMAPTALDH1A1PKMGAA | |
| SCHEMBL10269322 | 0.81 | CHRNA7 (0.56) | KDM4EALDH1A1LMNADRD4KCNH2 | |
| SCHEMBL13654242 | 0.81 | KDM4E (0.46) | KDM4EMAPTALDH1A1PKMGAA | |
| SCHEMBL3146325 | 0.80 | KDM4E (1.00) | KDM4EMAPTALDH1A1PKMGAA | |
| SCHEMBL13654227 | 0.79 | MAPT (0.59) | KDM4EMAPTALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL12386855 | 0.79 | CHRNA7 (0.46) | KDM4EMAPTALDH1A1PKMKMT2A | |
| SCHEMBL22857558 | 0.78 | CHKA (0.50) | KDM4EMAPTALDH1A1PKMGAA | |
| Hydrochloric Acid SCHEMBL11213012 | 0.78 | MAPT (0.57) | KDM4EMAPTALDH1A1KMT2ATDP1 |
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 |