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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL172733 | 0.98 | NPC1 (0.59) | NPC1RAB9AHPGDTSHRHSD17B10 | |
| SCHEMBL30493964 | 0.98 | NPC1 (0.59) | NPC1RAB9AHPGDTSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL7953576 | 0.95 | NPC1 (0.58) | NPC1RAB9AHPGDTSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL27827157 | 0.95 | NPC1 (0.58) | NPC1RAB9AHPGDTSHRHSD17B10 | |
| Chlorobenzene SCHEMBL28396524 | 0.86 | TSHR (0.50) | NPC1RAB9AHPGDTSHRHSD17B10 | |
| SCHEMBL3633054 | 0.85 | CA12 (0.61) | NPC1RAB9AHPGDTSHRHSD17B10 | |
| SCHEMBL29551674 | 0.85 | CA12 (0.61) | NPC1RAB9AHPGDTSHRHSD17B10 | |
| SCHEMBL4541662 | 0.83 | CA12 (0.59) | NPC1RAB9AHPGDTSHRHSD17B10 | |
| SCHEMBL29551646 | 0.83 | CA12 (0.59) | NPC1RAB9AHPGDTSHRHSD17B10 | |
| Bromide SCHEMBL1925857 | 0.80 | ESR2 (0.52) | NPC1RAB9AHPGDTSHRHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-6255487-B1 | PREPARING 2-(2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPER-AZINYL)ETHOXY)ACETIC ACID VIA REACTING SUBSTITUTED (2-((1-PIPERAZINYL)ETHOXY)METHYL COMPOUND WITH A DIPHENYLMETHYL HALIDE, THEN HYDROLYZING IN ALCOHOLIC MEDIUM WITH ACID/BASE | UCB, S.A. (BE) | 2001-07-03 | — | — | US | disclosed |
| US-6140501-A | CHEMICAL INTERMEDIATES | UCB, S.A. (BE) | 2000-10-31 | — | — | US | disclosed |