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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 4/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 SCHEMBL9308701 | 0.86 | GABRB3 (0.38) | KDM4EALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL9310026 | 0.82 | ALDH1A1 (0.47) | KDM4EALDH1A1KMT2AGAAATM | |
| Bromide SCHEMBL9309729 | 0.76 | RXRA (0.34) | KDM4EALDH1A1KMT2APOLBMAPT | |
| SCHEMBL9309478 | 0.76 | ALDH1A1 (0.49) | KDM4EALDH1A1KMT2AGAAATM | |
| SCHEMBL10675913 | 0.76 | ALDH1A1 (0.49) | KDM4EALDH1A1KMT2AGAAATM | |
| SCHEMBL6475236 | 0.76 | KDM4E (0.49) | KDM4EALDH1A1KMT2AGAAATM | |
| Bromide SCHEMBL9453098 | 0.75 | POLB (0.37) | KDM4EALDH1A1KMT2AGAAPOLB | |
| SCHEMBL9311365 | 0.73 | ALDH1A1 (0.47) | KDM4EALDH1A1KMT2AGAAATM | |
| SCHEMBL9453083 | 0.72 | MAPK1 (0.46) | KDM4EALDH1A1KMT2AGAAATM | |
| SCHEMBL9310628 | 0.72 | CNR1 (0.40) | KDM4EALDH1A1KMT2AGAAMAPT |
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-5321002-A | Herbicidal derivatives of 2-(1-aryl-4-cyano-5-pyrazolylmethyleneiminooxy)alkanoic acids | FMC CORPORATION (US) | 1994-06-14 | — | — | US | disclosed |
| US-5250504-A | Pre- and postemergence | FMC CORPORATION (US) | 1993-10-05 | — | — | US | disclosed |
| US-5198014-A | Herbicidal beta-pyrazolylacrylic acid compound | FMC CORPORATION (US) | 1993-03-30 | — | — | US | disclosed |