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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK1 | Q96PY6 | 19/20 | 0.98 |
| ▸ | PBK | Q96KB5 | 2/20 | 0.74 |
| ▸ | CCNK | O75909 | 1/20 | 0.74 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.74 |
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 SCHEMBL16908850 | 1.00 | NEK1 (0.98) | NEK1PBKCCNKCDK12 | |
| Bromide SCHEMBL16908851 | 1.00 | NEK1 (0.98) | NEK1PBKCCNKCDK12 | |
| SCHEMBL2553404 | 0.99 | NEK1 (1.00) | NEK1PBKCCNKCDK12 | |
| SCHEMBL15092389 | 0.99 | NEK1 (1.00) | NEK1PBKCCNKCDK12 | |
| SCHEMBL15092365 | 0.99 | NEK1 (1.00) | NEK1PBKCCNKCDK12 | |
| Hydrochloric Acid SCHEMBL2565300 | 0.98 | NEK1 (0.98) | NEK1PBKCCNKCDK12 | |
| Hydrochloric Acid SCHEMBL16908866 | 0.98 | NEK1 (0.98) | NEK1PBKCCNKCDK12 | |
| SCHEMBL2555250 | 0.90 | NEK1 (1.00) | NEK1PBKCCNKCDK12 | |
| SCHEMBL15096457 | 0.89 | NEK1 (0.82) | NEK1PBKCCNKCDK12 | |
| SCHEMBL15096461 | 0.89 | NEK1 (0.82) | NEK1PBKCCNKCDK12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2552206-B1 | TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE INC (JP) | 2015-07-22 | — | — | EP | disclosed |