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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8392846 | 0.99 | MAPT (0.55) | MAPTHTTNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8394220 | 0.92 | KDM1A (0.51) | MAPTHTTNPC1SMN1; SMN2ALDH1A1 | |
| Bromide SCHEMBL8396198 | 0.88 | MAPT (0.50) | MAPTHTTNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8394171 | 0.87 | MAPT (0.51) | MAPTHTTNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8395565 | 0.87 | MAPT (0.57) | MAPTHTTNPC1SMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8392015 | 0.86 | MAPT (0.56) | MAPTHTTNPC1SMN1; SMN2ALDH1A1 | |
| Bromide SCHEMBL8397243 | 0.79 | MAPT (0.60) | MAPTHTTNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8392936 | 0.78 | NPC1 (0.57) | NPC1ALDH1A1GAAPOLBTDP1 | |
| SCHEMBL8392843 | 0.77 | MAPT (0.62) | MAPTHTTNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL12914895 | 0.75 | MAPT (0.73) | MAPTHTTALDH1A1KMT2AGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5998399-A | Guanidine derivatives useful in therapy as inhibitors of nitric oxide synthetase | ASTRA AKTIEBOLAG (SE) | 1999-12-07 | — | — | US | disclosed |
| EP-0690851-B1 | GUANIDINE DERIVATIVES USEFUL IN THERAPY | ASTRA AB (SE) | 1999-05-19 | — | — | EP | disclosed |
| US-5885985-A | Guanidine derivatives useful in therapy | ASTRA AKTIEBOLAG (SE) | 1999-03-23 | — | — | US | disclosed |