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 | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | HRH2 | P25021 | 1/20 | 0.62 |
| ▸ | NOS1 | P29475 | 5/20 | 0.57 |
| ▸ | NOS3 | P29474 | 4/20 | 0.57 |
| ▸ | NOS2 | P35228 | 4/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | BLM | P54132 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 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 | |
|---|---|---|---|---|
| SCHEMBL11597746 | 0.98 | CYP1A2 (0.64) | HRH4CYP1A2TDP1ALDH1A1HRH2 | |
| Hydrochloric Acid SCHEMBL11596112 | 0.96 | CYP1A2 (0.62) | HRH4CYP1A2TDP1ALDH1A1HRH2 | |
| Bromide SCHEMBL7180345 | 0.82 | HRH4 (0.69) | HRH4CYP1A2TDP1ALDH1A1HRH2 | |
| Hydrochloric Acid SCHEMBL7366284 | 0.82 | NOS1 (0.61) | HRH4CYP1A2TDP1ALDH1A1HRH2 | |
| Dimaprit SCHEMBL7173650 | 0.79 | HRH4 (1.00) | HRH4CYP1A2TDP1ALDH1A1HRH2 | |
| Hydrochloric Acid SCHEMBL7176136 | 0.78 | HRH4 (0.66) | HRH4CYP1A2TDP1ALDH1A1HRH2 | |
| Dimaprit SCHEMBL379810 | 0.77 | HRH4 (1.00) | HRH4CYP1A2TDP1ALDH1A1HRH2 | |
| Bromide SCHEMBL4732426 | 0.76 | — | — | |
| Dimaprit SCHEMBL30836911 | 0.75 | HRH4 (0.96) | HRH4CYP1A2TDP1ALDH1A1HRH2 | |
| Dimaprit SCHEMBL7174665 | 0.75 | HRH4 (0.96) | HRH4CYP1A2TDP1ALDH1A1HRH2 |
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-4126670-A | DIALKYLAMINOPROPYL ISOTHIOUREA | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1978-11-21 | — | — | US | disclosed |