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 | 2/20 | 0.57 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.57 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.57 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.57 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.57 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.57 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.57 |
| ▸ | PARP10 | Q53GL7 | 4/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 4/20 | 0.48 |
| ▸ | PARP15 | Q460N3 | 3/20 | 0.48 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.48 |
| ▸ | TNKS | O95271 | 2/20 | 0.48 |
| ▸ | PARP1 | P09874 | 2/20 | 0.48 |
| ▸ | PARP14 | Q460N5 | 2/20 | 0.48 |
| ▸ | TIPARP | Q7Z3E1 | 2/20 | 0.48 |
| ▸ | PARP16 | Q8N5Y8 | 2/20 | 0.48 |
| ▸ | PARP12 | Q9H0J9 | 2/20 | 0.48 |
| ▸ | PARP11 | Q9NR21 | 2/20 | 0.48 |
| ▸ | PARP4 | Q9UKK3 | 2/20 | 0.48 |
| ▸ | PARP3 | Q9Y6F1 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11749623 | 0.82 | CHEK1 (0.41) | CHEK1LRRK2CLK4DYRK1BPDGFRA | |
| SCHEMBL11535133 | 0.79 | BRPF1 (0.42) | CHEK1LRRK2CLK4DYRK1BPDGFRA | |
| SCHEMBL11532503 | 0.76 | CHEK1 (0.36) | CHEK1LRRK2CLK4DYRK1BPDGFRA | |
| Bromide SCHEMBL11743370 | 0.75 | CHEK1 (0.96) | CHEK1LRRK2CLK4DYRK1BPDGFRA | |
| SCHEMBL11746004 | 0.68 | BRPF1 (0.67) | PARP10PARP2PARP15TNKS2TNKS | |
| SCHEMBL11748057 | 0.67 | BRPF1 (0.53) | CHEK1LRRK2CLK4DYRK1BPDGFRA | |
| SCHEMBL11743929 | 0.65 | CHEK1 (0.66) | CHEK1LRRK2CLK4DYRK1BPDGFRA | |
| SCHEMBL11744435 | 0.62 | BRPF1 (0.55) | CHEK1LRRK2CLK4DYRK1BPDGFRA | |
| SCHEMBL11654100 | 0.61 | LMNA (0.37) | LMNAPDE10APRMT5ALDH1A1PKM | |
| SCHEMBL10720721 | 0.61 | LMNA (0.37) | LMNAPDE10APRMT5ALDH1A1PKM |
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 |