Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.41 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.41 |
| ▸ | PTGER2 | P43116 | 3/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 SCHEMBL9486481 | 0.80 | ALDH1A1 (0.34) | NFE2L2PTGER3PTGER2PTGER4ALDH1A1 | |
| SCHEMBL18802206 | 0.79 | NFE2L2 (0.50) | NFE2L2PTGER3PTGER2PTGER4ALDH1A1 | |
| SCHEMBL6821253 | 0.77 | NFE2L2 (0.47) | NFE2L2PTGER3PTGER2PTGER4ALDH1A1 | |
| SCHEMBL6821249 | 0.77 | NFE2L2 (0.47) | NFE2L2PTGER3PTGER2PTGER4ALDH1A1 | |
| SCHEMBL22954721 | 0.76 | NFE2L2 (0.46) | NFE2L2PTGER3PTGER2PTGER4ALDH1A1 | |
| SCHEMBL69522 | 0.75 | ALDH1A1 (0.58) | NFE2L2ALDH1A1MAPTKDM4EKMT2A | |
| SCHEMBL10438847 | 0.75 | ALDH1A1 (0.58) | NFE2L2ALDH1A1MAPTKDM4EKMT2A | |
| Bromide SCHEMBL8948916 | 0.75 | TSHR (0.36) | ALDH1A1KDM4EKMT2AHPGDCYP1A2 | |
| Bromide SCHEMBL8948924 | 0.75 | TSHR (0.36) | ALDH1A1KDM4EKMT2AHPGDCYP1A2 | |
| SCHEMBL14306568 | 0.74 | NFE2L2 (0.49) | NFE2L2PTGER3PTGER2PTGER4ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5041618-A | α-arylacrylates and fungicides containing these compounds | BASF AKTIENGESELLSCHAFT (DE) | 1991-08-20 | — | — | US | disclosed |
| EP-0348766-B1 | ALPHA-ARYLACRYLIC-ACID ESTERS AND FUNGICIDES CONTAINING SAME | BASF Aktiengesellschaft (DE) | 1991-04-17 | — | — | EP | disclosed |
| EP-0348766-A2 | Alpha-arylacrylic-acid esters and fungicides containing same | BASF Aktiengesellschaft (DE) | 1990-01-03 | — | — | EP | disclosed |