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 | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KMO | O15229 | 2/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TOP1 | P11387 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL7412224 | 0.90 | TNF (0.47) | TNFLMNAGAAMAPK1SMN1; SMN2 | |
| SCHEMBL10741271 | 0.76 | DYRK1A (0.40) | TNFGAAALDH1A1MAPTP2RX3 | |
| SCHEMBL10739220 | 0.75 | DYRK1A (0.39) | TNFLMNAGAAMAPTP2RX3 | |
| SCHEMBL10745625 | 0.74 | KMO (0.44) | KMOMAPTKMT2AP2RX3DYRK1A | |
| SCHEMBL7412014 | 0.73 | TNF (0.43) | TNFGAAP2RX3DYRK1A | |
| SCHEMBL10739706 | 0.72 | ALDH1A1 (0.37) | TNFLMNAMAPK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL10741100 | 0.70 | KMO (0.42) | TNFMAPK1SMN1; SMN2ALDH1A1KMO | |
| Bromide SCHEMBL10740071 | 0.69 | KDM4E (0.37) | PKMALDH1A1KMOMAPTP2RX3 | |
| SCHEMBL7409269 | 0.69 | P2RX3 (0.40) | GAAALDH1A1MAPTHTTP2RX3 | |
| SCHEMBL10741229 | 0.69 | P2RX3 (0.41) | P2RX3DYRK1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0107398-B1 | ORTHO SUBSTITUTED DIHYDROXY-2(1H)QUINAZOLINONE-1-ALKANOIC ACIDS | ORTHO PHARMA CORP (US) | 1988-06-08 | — | — | EP | disclosed |
| US-4631283-A | RENAL VASODILATORS, CARDIOVASCULAR AGENTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1986-12-23 | — | — | US | disclosed |
| US-4490374-A | CARDIOVASCULAR AGENTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1984-12-25 | — | — | US | disclosed |
| EP-0107398-A1 | Ortho substituted dihydroxy-2(1H)quinazolinone-1-alkanoic acids | ORTHO PHARMACEUTICAL CORPORATION (US) | 1984-05-02 | — | — | EP | disclosed |