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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.41 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.41 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | STAT6 | P42226 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31198085 | 0.83 | SMN1; SMN2 (0.59) | KMT2AMEN1GAASMN1; SMN2CYP3A4 | |
| SCHEMBL75590 | 0.82 | KMT2A (0.47) | KMT2AMEN1GAASMN1; SMN2CYP3A4 | |
| SCHEMBL1028262 | 0.77 | CYP1A2 (0.57) | KMT2AMEN1GAASMN1; SMN2CYP3A4 | |
| SCHEMBL6641796 | 0.77 | KMT2A (0.48) | KMT2AMEN1GAASMN1; SMN2CYP3A4 | |
| SCHEMBL12259663 | 0.76 | KMT2A (0.47) | KMT2AMEN1GAASMN1; SMN2CYP3A4 | |
| SCHEMBL2390792 | 0.76 | KMT2A (0.47) | KMT2AMEN1GAASMN1; SMN2CYP3A4 | |
| SCHEMBL20993618 | 0.76 | KMT2A (0.47) | KMT2AMEN1GAASMN1; SMN2CYP3A4 | |
| SCHEMBL20993624 | 0.76 | KMT2A (0.47) | KMT2AMEN1GAASMN1; SMN2CYP3A4 | |
| SCHEMBL11713277 | 0.76 | KMT2A (0.47) | KMT2AMEN1GAASMN1; SMN2CYP3A4 | |
| SCHEMBL7530583 | 0.74 | KMT2A (0.68) | KMT2AMEN1TSHRLMNASLC6A3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0994107-A1 | 5-Arylisoxazol-4-yl-substituted 2-amino carboxylic acid compounds | H. LUNDBECK A/S (DK) | 2000-04-19 | — | — | EP | disclosed |
| EP-0726896-A1 | 5-ARYLISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS | H. LUNDBECK A/S (DK) | 1996-08-21 | — | — | EP | disclosed |
| WO-1995012587-A1 | 5-ARYLISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS | H. LUNDBECK A/S (DK) | 1995-05-11 | — | — | WO | disclosed |