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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.41 |
| ▸ | RAB9A | P51151 | 9/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | CASP2 | P42575 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9036770 | 0.99 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| Hydrochloric Acid SCHEMBL9221358 | 0.97 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| Bromide SCHEMBL6961612 | 0.87 | SMN1; SMN2 (0.40) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| Bromide SCHEMBL6967204 | 0.86 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| SCHEMBL9038841 | 0.85 | SMN1; SMN2 (0.41) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL9038299 | 0.85 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| SCHEMBL6966852 | 0.84 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| Bromide SCHEMBL6968763 | 0.82 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| Bromide SCHEMBL6962470 | 0.82 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| SCHEMBL9039064 | 0.81 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2TP53MEN1 |
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 |