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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D known ✓ | P25100 | 3/20 | 0.40 |
| ▸ | ADRA1A known ✓ | P35348 | 3/20 | 0.40 |
| ▸ | ADRA1B known ✓ | P35368 | 3/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.68 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.68 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.68 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.66 |
| ▸ | SPHK2 | Q9NRA0 | 5/20 | 0.48 |
| ▸ | SPHK1 | Q9NYA1 | 5/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28275983 | 0.98 | S1PR1 (0.70) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| SCHEMBL27853068 | 0.98 | S1PR1 (0.70) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| SCHEMBL28331601 | 0.98 | S1PR1 (0.70) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| SCHEMBL10752656 | 0.98 | S1PR1 (0.70) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| SCHEMBL10757053 | 0.98 | S1PR1 (0.70) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| SCHEMBL28320436 | 0.98 | S1PR1 (0.70) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| SCHEMBL10744955 | 0.98 | S1PR1 (0.70) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| Hydrochloric Acid SCHEMBL30331202 | 0.93 | S1PR1 (0.66) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| Fluoride SCHEMBL30330781 | 0.93 | S1PR1 (0.66) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| Hydrochloric Acid SCHEMBL30330658 | 0.93 | S1PR1 (0.66) | S1PR1S1PR3S1PR5S1PR4SPHK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103958018-B | For the cation replacement agent molecule of hydrophobicity displacement chromatography | SACHEM, INC. (US) | 2016-01-13 | — | — | CN | disclosed |
| CN-103958018-A | Cationic displacer molecules for hydrophobic displacement chromatography | SACHEM INC | 2014-07-30 | — | — | CN | disclosed |