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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.52 |
| ▸ | GSK3B | P49841 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | MEP1B | Q16820 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11755258 | 0.96 | MEP1B (0.54) | TP53PTPN1GSK3BALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL11385007 | 0.94 | MEP1B (0.53) | TP53PTPN1GSK3BALDH1A1MAPT | |
| SCHEMBL15965917 | 0.88 | HTT (0.49) | TP53PTPN1GSK3BALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL8091048 | 0.86 | HTT (0.48) | TP53PTPN1GSK3BALDH1A1MAPT | |
| SCHEMBL17688519 | 0.85 | DPP4 (0.53) | PTPN1ALDH1A1MAPTKDM4EAGTR1 | |
| SCHEMBL11288690 | 0.85 | GSK3B (0.62) | PTPN1GSK3BALDH1A1MAPTKDM4E | |
| SCHEMBL12352712 | 0.85 | BCHE (0.51) | ALDH1A1MAPTKDM4EAGTR1KMT2A | |
| SCHEMBL11751675 | 0.84 | MAPT (0.62) | GSK3BALDH1A1MAPTKDM4EAGTR1 | |
| SCHEMBL17688514 | 0.84 | PPARG (0.46) | TP53PTPN1GSK3BALDH1A1MAPT | |
| SCHEMBL3290066 | 0.82 | TP53 (0.49) | TP53PTPN1GSK3BALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4710576-A | COMPLEXES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1987-12-01 | — | — | US | disclosed |