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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SCD5 | Q86SK9 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5725876 | 1.00 | LMNA (0.36) | LMNAALDH1A1MAPK1DHODHKMT2A | |
| SCHEMBL5725148 | 0.87 | SOS1 (0.40) | LMNAALDH1A1MAPK1DHODHKMT2A | |
| SCHEMBL5724892 | 0.85 | HTR2A (0.36) | LMNAALDH1A1MAPK1DHODHKMT2A | |
| Bromide SCHEMBL5726756 | 0.83 | LMNA (0.44) | LMNAALDH1A1DHODHKMT2ASMN1; SMN2 | |
| SCHEMBL5724558 | 0.77 | GRIN2B (0.44) | ALDH1A1SMN1; SMN2NPC1RAB9AGAA | |
| SCHEMBL7983339 | 0.75 | NPC1 (0.34) | SMN1; SMN2NPC1RAB9AGAA | |
| SCHEMBL5724840 | 0.75 | CYP1A2 (0.32) | ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL5725812 | 0.74 | DHODH (0.35) | LMNAALDH1A1MAPK1DHODHKMT2A | |
| SCHEMBL5725809 | 0.74 | DHODH (0.35) | LMNAALDH1A1MAPK1DHODHKMT2A | |
| SCHEMBL5724732 | 0.73 | DHODH (0.34) | LMNAALDH1A1MAPK1DHODHKMT2A |
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-0812318-B1 | 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS | LUNDBECK & CO AS H (DK) | 2006-02-08 | — | — | EP | disclosed |
| US-6174909-B1 | FOR TREATING ANALGESIA, PSYCHOSIS, CONVULSIONS, EPILEPSY, ANXIETY, MUSCULAR AND MOVEMENT DISORDERS, SPASTIC DISORDERS OR SYMPTOMS OF HUNTINGTON'S OR PARKINSONS DISEASE | H. LUNDBECK A/S (DK) | 2001-01-16 | — | — | US | disclosed |
| US-5998613-A | PSYCHOLOGICAL DISORDERS; ANALGESICS; ANTICONVULSANTS | H. LUNDBECK A/S (DK) | 1999-12-07 | — | — | US | disclosed |