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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6281890 | 0.71 | CES2 (0.38) | CES2CES1FFAR1 | |
| SCHEMBL27509673 | 0.71 | CES2 (0.38) | CES2CES1FFAR1 | |
| SCHEMBL10086105 | 0.71 | TUBB1 (0.42) | CES2CES1FFAR1 | |
| SCHEMBL2721538 | 0.70 | CES2 (0.37) | CES2CES1FFAR1 | |
| Hydrochloric Acid SCHEMBL27616166 | 0.70 | CES2 (0.37) | CES2CES1FFAR1 | |
| Hydrochloric Acid SCHEMBL27616168 | 0.70 | CES2 (0.37) | CES2CES1FFAR1 | |
| Hydrochloric Acid SCHEMBL27433708 | 0.68 | CES2 (0.35) | CES2CES1FFAR1 | |
| Bromide SCHEMBL8630598 | 0.68 | CES2 (0.35) | CES2CES1 | |
| SCHEMBL531337 | 0.68 | CES2 (0.52) | CES2CES1 | |
| SCHEMBL6280829 | 0.67 | CES2 (0.39) | CES2CES1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0601056-B1 | POLYMERIZATION PROCESS AND CATALYSTS | SHELL OIL CO (US) | 1998-07-08 | — | — | EP | disclosed |
| EP-0601056-A1 | POLYMERIZATION PROCESS AND CATALYSTS | SHELL OIL COMPANY (US) | 1994-06-15 | — | — | EP | disclosed |
| US-5218065-A | POLYMERIZATION PROCESS | SHELL OIL COMPANY (US) | 1993-06-08 | — | — | US | disclosed |
| WO-1993005092-A1 | POLYMERIZATION PROCESS AND CATALYSTS | SHELL OIL COMPANY (US) | 1993-03-18 | — | — | WO | disclosed |