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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | EGFR | P00533 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | NPY1R | P25929 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.56 |
| ▸ | LTA4H | P09960 | 1/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
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 SCHEMBL10552927 | 1.00 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2HTTKDM4E | |
| SCHEMBL10923936 | 0.99 | RAB9A (0.61) | NPC1RAB9ASMN1; SMN2HTTKDM4E | |
| Bromide SCHEMBL10553706 | 0.99 | HTT (0.60) | NPC1RAB9ASMN1; SMN2HTTKDM4E | |
| SCHEMBL10922970 | 0.99 | RAB9A (0.61) | NPC1RAB9ASMN1; SMN2HTTKDM4E | |
| SCHEMBL10926912 | 0.98 | HTT (0.61) | NPC1RAB9ASMN1; SMN2HTTKDM4E | |
| Bromide SCHEMBL10553174 | 0.85 | ALOX5 (0.47) | NPC1RAB9ASMN1; SMN2HTTKDM4E | |
| SCHEMBL10924472 | 0.83 | ALOX5 (0.48) | NPC1RAB9ASMN1; SMN2HTTKDM4E | |
| Bromide SCHEMBL10556871 | 0.83 | KDM4E (0.47) | NPC1RAB9ASMN1; SMN2HTTKDM4E | |
| SCHEMBL10921355 | 0.82 | KDM4E (0.48) | NPC1RAB9ASMN1; SMN2HTTKDM4E | |
| SCHEMBL7231255 | 0.82 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2HTTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4847269-A | GLAUCOMA, AMIDES OR UREA DERIVATIVES OF AMINOETHYLCARBOXY COMPOUNDS | SYNTEX (U.S.A.) INC. (US) | 1989-07-11 | — | — | US | disclosed |
| US-4629730-A | ADMINISTERING DIALKYL OR CYCLOAKYL AMINO ETHYLANILINE DERIVATIVES | SYNTEX (U.S.A.) INC. (US) | 1986-12-16 | — | — | US | disclosed |