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 | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.96 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.96 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.96 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.96 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.96 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.96 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.96 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.58 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.58 |
| ▸ | TNKS | O95271 | 1/20 | 0.58 |
| ▸ | PARP1 | P09874 | 1/20 | 0.58 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.58 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.58 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.58 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.58 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.58 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.58 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.58 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.58 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL11743929 | 0.78 | CHEK1 (0.66) | CHEK1PDGFRACDK5DYRK1ALRRK2 | |
| SCHEMBL11536976 | 0.78 | CHEK1 (0.66) | CHEK1PDGFRACDK5DYRK1ALRRK2 | |
| SCHEMBL11741753 | 0.78 | CHEK1 (0.66) | CHEK1PDGFRACDK5DYRK1ALRRK2 | |
| SCHEMBL11746931 | 0.78 | CHEK1 (0.66) | CHEK1PDGFRACDK5DYRK1ALRRK2 | |
| SCHEMBL11744129 | 0.78 | CHEK1 (0.66) | CHEK1PDGFRACDK5DYRK1ALRRK2 | |
| SCHEMBL11746979 | 0.77 | CHEK1 (0.65) | CHEK1PDGFRACDK5DYRK1ALRRK2 | |
| Hydrochloric Acid SCHEMBL11747896 | 0.76 | CHEK1 (0.64) | CHEK1PDGFRACDK5DYRK1ALRRK2 | |
| Bromide SCHEMBL11744403 | 0.75 | CHEK1 (0.57) | CHEK1PDGFRACDK5DYRK1ALRRK2 | |
| SCHEMBL25323659 | 0.74 | PARP2 (0.67) | CHEK1PDGFRACDK5DYRK1ALRRK2 | |
| SCHEMBL11534643 | 0.74 | CHEK1 (0.60) | CHEK1PDGFRACDK5DYRK1ALRRK2 |
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-4064261-A | TRIAZOLOBENOXAZOLE, TRIAZOLOBENZOTHIAZOLE COMPOUNDS | ELI LILLY AND COMPANY (US) | 1977-12-20 | — | — | US | disclosed |