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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | THRB | P10828 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.67 |
| ▸ | ATM | Q13315 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CTSC | P53634 | 1/20 | 0.55 |
| ▸ | ANPEP | P15144 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL30581395 | 0.99 | OPRK1 (0.69) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL30581396 | 0.99 | OPRK1 (0.69) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL28231245 | 0.99 | OPRK1 (0.69) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL7139809 | 0.99 | OPRK1 (0.69) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL29661828 | 0.97 | OPRK1 (0.67) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL20885112 | 0.96 | OPRK1 (0.66) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 | |
| Bromide SCHEMBL11599446 | 0.94 | TSHR (0.65) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 | |
| Bromide SCHEMBL11599445 | 0.94 | TSHR (0.65) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL11597665 | 0.92 | TSHR (0.67) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL10394119 | 0.92 | TSHR (0.67) | OPRK1ALDH1A1THRBCYP2C9CYP2C19 |
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-4138485-A | ANTILIPEMIC AGENTS | KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) | 1979-02-06 | — | — | US | disclosed |