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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | MMP1 | P03956 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP3 | P08254 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10702291 | 0.98 | CYP2D6 (0.61) | CYP2D6EPHX1CA2CA12CA1 | |
| SCHEMBL22180932 | 0.91 | CYP2D6 (0.69) | CYP2D6EPHX1CA2CA12CA1 | |
| SCHEMBL20801570 | 0.88 | CYP2D6 (0.51) | CYP2D6EPHX1CA2CA12CA1 | |
| SCHEMBL1380295 | 0.87 | — | — | |
| SCHEMBL15224107 | 0.82 | CYP2D6 (0.58) | CYP2D6EPHX1CA2CA12CA1 | |
| SCHEMBL24860114 | 0.82 | CYP2D6 (0.46) | CYP2D6EPHX1CA2CA12CA1 | |
| SCHEMBL22180944 | 0.80 | CYP2D6 (0.51) | CYP2D6EPHX1CA2CA12CA1 | |
| SCHEMBL15224105 | 0.80 | TDP1 (0.57) | CYP2D6EPHX1CA2CA12CA1 | |
| SCHEMBL9795157 | 0.80 | TDP1 (0.52) | CYP2D6EPHX1CA2CA12CA1 | |
| SCHEMBL9795153 | 0.80 | TDP1 (0.52) | CYP2D6EPHX1CA2CA12CA1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0294668-B1 | (2-CYANO-2-OXIMINOACETYL)-AMINO ACID DERIVATIVES | BAYER AG (DE) | 1993-04-07 | — | — | EP | disclosed |
| EP-0294667-B1 | (2-CYANO-2-OXIMINOACETYL)-AMINO ACID DERIVATIVES | BAYER AG (DE) | 1993-03-17 | — | — | EP | disclosed |
| US-5189061-A | Fungicide | BAYER AKTIENGESELLSCHAFT (DE) | 1993-02-23 | — | — | US | disclosed |
| US-5026710-A | Fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1991-06-25 | — | — | US | disclosed |
| US-4963548-A | FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1990-10-16 | — | — | US | disclosed |
| EP-0294668-A2 | (2-cyano-2-oximinoacetyl)-amino acid derivatives | BAYER AG (DE) | 1988-12-14 | — | — | EP | disclosed |
| EP-0294667-A2 | (2-cyano-2-oximinoacetyl)-amino acid derivatives | BAYER AG (DE) | 1988-12-14 | — | — | EP | disclosed |