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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9731256 | 0.99 | ALDH1A1 (0.47) | ALDH1A1CYP2C9SMN1; SMN2PKML3MBTL1 | |
| Bromide SCHEMBL9730711 | 0.85 | ALDH1A1 (0.43) | ALDH1A1CYP2C9SMN1; SMN2PKML3MBTL1 | |
| SCHEMBL9731102 | 0.84 | ALDH1A1 (0.44) | ALDH1A1CYP2C9SMN1; SMN2PKML3MBTL1 | |
| SCHEMBL9731425 | 0.84 | ALDH1A1 (0.44) | ALDH1A1CYP2C9SMN1; SMN2PKML3MBTL1 | |
| Hydrochloric Acid SCHEMBL9730643 | 0.83 | ALDH1A1 (0.43) | ALDH1A1CYP2C9SMN1; SMN2PKML3MBTL1 | |
| SCHEMBL9730932 | 0.80 | APOBEC3A (0.42) | ALDH1A1CYP2C9SMN1; SMN2PKML3MBTL1 | |
| SCHEMBL9731023 | 0.75 | ALDH1A1 (0.50) | ALDH1A1CYP2C9SMN1; SMN2PKML3MBTL1 | |
| SCHEMBL9730992 | 0.73 | CYP1A2 (0.42) | ALDH1A1CYP2C9SMN1; SMN2PKML3MBTL1 | |
| SCHEMBL12727152 | 0.68 | KDR (0.53) | ALDH1A1SMN1; SMN2APOBEC3ACYP1A2LMNA | |
| SCHEMBL6666246 | 0.68 | CYP1A2 (0.68) | ALDH1A1CYP2C9SMN1; SMN2PKMNPC1 |
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-5164511-A | Thioimideazoles useful as intermediates for preparing thiazine | CORNELL RESEARCH FOUNDATION, INC. (US) | 1992-11-17 | — | — | US | disclosed |