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 | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 7/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 3/20 | 0.33 |
| ▸ | CTSB | P07858 | 3/20 | 0.33 |
| ▸ | CTSH | P09668 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7277428 | 0.99 | CTSK (0.37) | CTSKCTSDCTSLCTSBCTSH | |
| Hydrochloric Acid SCHEMBL7284520 | 0.98 | CTSK (0.36) | CTSKCTSDCTSLCTSBCTSH | |
| Hydrochloric Acid SCHEMBL7286358 | 0.81 | KDM4E (0.31) | ALDH1A1 | |
| SCHEMBL9646603 | 0.78 | CTSS (0.42) | CTSKSMN1; SMN2REN | |
| SCHEMBL10715968 | 0.77 | CTSK (0.39) | CTSKCTSLCTSBCTSHREN | |
| SCHEMBL7335313 | 0.75 | MMP2 (0.34) | SMN1; SMN2MMP1MMP2MMP3POLB | |
| SCHEMBL7274926 | 0.73 | CTSK (0.47) | CTSKCTSLCTSBRENMMP1 | |
| SCHEMBL7283209 | 0.73 | REN (0.34) | CTSDRENMMP1MMP2MMP3 | |
| Bromide SCHEMBL10716158 | 0.73 | ANPEP (0.46) | MMP1 | |
| SCHEMBL7277423 | 0.71 | ANPEP (0.47) | MMP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0210545-A2 | Phosphorous containing enzyme inhibitors | MERCK & CO. INC. (US) | 1987-02-04 | — | — | EP | claimed |
| EP-0210545-A2 | Phosphorous containing enzyme inhibitors | MERCK & CO. INC. (US) | 1987-02-04 | — | — | EP | disclosed |