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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.53 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.53 |
| ▸ | PIK3C3 | Q8NEB9 | 7/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16130585 | 0.98 | CHRNB2 (0.55) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL2606087 | 0.98 | CHRNB2 (0.55) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL16130557 | 0.98 | CHRNB2 (0.55) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL2606078 | 0.81 | ATR (0.40) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL27367885 | 0.81 | ATR (0.40) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL30433564 | 0.81 | MDM2 (0.39) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL13634754 | 0.81 | CCNC (0.42) | CHRNA7TSHR | |
| SCHEMBL24465524 | 0.80 | MAOB (0.43) | HTR1A | |
| SCHEMBL22425352 | 0.80 | MAOB (0.43) | HTR1A | |
| SCHEMBL22425355 | 0.80 | MAOB (0.43) | HTR1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1744754-A1 | MORPHOLINE COMPOUNDS | Pfizer Limited (GB) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005105100-A1 | MORPHOLINE COMPOUNDS | PFIZER LIMITED (GB) | 2005-11-10 | — | — | WO | disclosed |