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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | THRB | P10828 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | MDM4 | O15151 | 1/20 | 0.59 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.59 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.58 |
| ▸ | LNPEP | Q9UIQ6 | 5/20 | 0.58 |
| ▸ | ERAP2 | Q6P179 | 4/20 | 0.58 |
| ▸ | ERAP1 | Q9NZ08 | 3/20 | 0.58 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11599446 | 1.00 | TSHR (0.65) | TSHROPRK1ALDH1A1THRBCYP2C9 | |
| SCHEMBL11359300 | 0.99 | TSHR (0.67) | TSHROPRK1ALDH1A1THRBCYP2C9 | |
| SCHEMBL11597665 | 0.99 | TSHR (0.67) | TSHROPRK1ALDH1A1THRBCYP2C9 | |
| SCHEMBL10394119 | 0.99 | TSHR (0.67) | TSHROPRK1ALDH1A1THRBCYP2C9 | |
| Hydrochloric Acid SCHEMBL11581436 | 0.97 | TSHR (0.65) | TSHROPRK1ALDH1A1THRBCYP2C9 | |
| Hydrochloric Acid SCHEMBL11581442 | 0.97 | TSHR (0.65) | TSHROPRK1ALDH1A1THRBCYP2C9 | |
| Bromide SCHEMBL11571243 | 0.94 | OPRK1 (0.67) | TSHROPRK1ALDH1A1THRBCYP2C9 | |
| SCHEMBL27824405 | 0.94 | ERAP2 (0.64) | TSHROPRK1ALDH1A1THRBCYP2C9 | |
| SCHEMBL27824408 | 0.94 | ERAP2 (0.64) | TSHROPRK1ALDH1A1THRBCYP2C9 | |
| SCHEMBL7139809 | 0.92 | OPRK1 (0.69) | TSHROPRK1ALDH1A1THRBCYP2C9 |
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-4093610-A | CYCLIC DODECAPEPTIDE, MULTISTAGE | AMERICAN HOME PRODUCTS CORPORATION (US) | 1978-06-06 | — | — | US | disclosed |