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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | UGCG | Q16739 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.40 |
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 SCHEMBL9137539 | 0.90 | HDAC11 (0.47) | HDAC11HDAC1HDAC3HDAC2HDAC8 | |
| Bromide SCHEMBL8954063 | 0.82 | UGCG (0.44) | ALDH1A1UGCGOPRK1TP53LMNA | |
| SCHEMBL9549313 | 0.76 | HDAC1 (0.70) | HDAC11HDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL16045114 | 0.73 | HDAC1 (0.72) | HDAC11HDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL13493025 | 0.72 | UGCG (0.55) | ALDH1A1UGCGTP53MAPTCYP3A4 | |
| SCHEMBL7923582 | 0.72 | UGCG (0.55) | ALDH1A1UGCGTP53MAPTCYP3A4 | |
| SCHEMBL24193420 | 0.71 | TAS1R3 (0.58) | ALDH1A1HPGDHTTTAS1R3TAS1R1 | |
| SCHEMBL13494425 | 0.71 | CHRM2 (0.51) | HDAC1HDAC8HDAC6ALDH1A1HPGD | |
| SCHEMBL30868632 | 0.69 | TAS1R3 (0.77) | ALDH1A1HTTTAS1R3TAS1R1LMNA | |
| SCHEMBL165896 | 0.69 | PRSS1 (0.61) | ALDH1A1RAB9ATAS1R3TAS1R1MLYCD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5451394-A | Quaternary salts of para-dialkylamino benzamide derivatives | ISP VAN DYK INC. (US) | 1995-09-19 | — | — | US | claimed |