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 | |
|---|---|---|---|---|
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.54 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | CSF1R | P07333 | 3/20 | 0.50 |
| ▸ | FLT1 | P17948 | 3/20 | 0.50 |
| ▸ | FLT3 | P36888 | 3/20 | 0.50 |
| ▸ | AURKA | O14965 | 2/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.48 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.48 |
| ▸ | FLT4 | P35916 | 2/20 | 0.48 |
| ▸ | KDR | P35968 | 2/20 | 0.48 |
| ▸ | STK3 | Q13188 | 2/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.48 |
| ▸ | PLK4 | O00444 | 1/20 | 0.48 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.48 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.48 |
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 SCHEMBL7083409 | 0.80 | CSF1R (0.51) | SAE1UBA2SMN1; SMN2KMT2APKM | |
| SCHEMBL8195293 | 0.79 | CNR1 (0.54) | SMN1; SMN2KMT2AFLT3FLT4KDR | |
| SCHEMBL12764052 | 0.78 | MEN1 (0.59) | SMN1; SMN2KMT2ANPC1RAB9AMEN1 | |
| SCHEMBL5852140 | 0.76 | SAE1 (0.76) | SAE1UBA2SMN1; SMN2KMT2APKM | |
| SCHEMBL4416620 | 0.76 | SMN1; SMN2 (0.77) | SAE1UBA2SMN1; SMN2KMT2APKM | |
| SCHEMBL29703055 | 0.76 | SMN1; SMN2 (0.77) | SAE1UBA2SMN1; SMN2KMT2APKM | |
| SCHEMBL31054278 | 0.74 | SMN1; SMN2 (0.75) | SAE1UBA2SMN1; SMN2KMT2APKM | |
| SCHEMBL259602 | 0.74 | SMN1; SMN2 (0.75) | SAE1UBA2SMN1; SMN2KMT2APKM | |
| SCHEMBL7080389 | 0.73 | KMT2A (0.57) | SAE1UBA2SMN1; SMN2KMT2APKM | |
| Fumaric Acid SCHEMBL7081598 | 0.73 | CNR1 (0.49) | SMN1; SMN2KMT2AFLT3FLT4KDR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0713483-B1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | ASTRAZENECA AB (SE) | 2003-01-15 | — | — | EP | disclosed |
| US-6030985-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 2000-02-29 | — | — | US | disclosed |
| US-5807885-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 1998-09-15 | — | — | US | disclosed |