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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.50 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.47 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.47 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 2/20 | 0.54 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL17272 | 0.98 | MEN1 (0.66) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL3889285 | 0.98 | MEN1 (0.66) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL3778880 | 0.98 | MEN1 (0.66) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL12391433 | 0.97 | MEN1 (0.64) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| Potassium SCHEMBL31108362 | 0.97 | MEN1 (0.64) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL3970461 | 0.97 | MEN1 (0.64) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL31510126 | 0.97 | MEN1 (0.64) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL4588381 | 0.97 | MEN1 (0.64) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL18022826 | 0.97 | MEN1 (0.64) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL5496481 | 0.97 | MEN1 (0.64) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104837821-B | Acylpiperazines as inhibitors of transglutaminase and their use in medicine | 阿斯顿大学 | 2018-11-13 | — | — | CN | disclosed |