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 | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | HPGD | P15428 | 3/20 | 0.68 |
| ▸ | MAPT | P10636 | 2/20 | 0.68 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.62 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.57 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | GLA | P06280 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2469662 | 0.98 | ALDH1A1 (0.70) | ALDH1A1HPGDMAPTPTPN1GRIN2D | |
| SCHEMBL10484311 | 0.96 | ALDH1A1 (0.68) | ALDH1A1HPGDMAPTPTPN1GRIN2D | |
| SCHEMBL11601107 | 0.89 | AKR1B1 (0.59) | ALDH1A1HPGDMAPTPTPN1GRIN2D | |
| SCHEMBL10484184 | 0.89 | GRIN2D (0.67) | ALDH1A1HPGDMAPTPTPN1GRIN2D | |
| SCHEMBL31742339 | 0.89 | GRIN2D (0.67) | ALDH1A1HPGDMAPTPTPN1GRIN2D | |
| SCHEMBL15439625 | 0.89 | GRIN2D (0.67) | ALDH1A1HPGDMAPTPTPN1GRIN2D | |
| SCHEMBL2469905 | 0.88 | GRIN2D (0.66) | ALDH1A1HPGDMAPTPTPN1GRIN2D | |
| SCHEMBL7088722 | 0.88 | PTPN1 (0.64) | ALDH1A1HPGDMAPTPTPN1GRIN2D | |
| SCHEMBL9618797 | 0.84 | MAPT (0.54) | ALDH1A1HPGDMAPTPTPN1GRIN2D | |
| SCHEMBL11818284 | 0.84 | ALDH1A1 (0.72) | ALDH1A1HPGDMAPTPTPN1HSD17B10 |
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-1244638-A2 | PHENANTHRYL PIPERAZINYL DICARBOXYLIC ACIDS AS SELECTIVE NMDA RECEPTOR MODULATING AGENTS | UNIVERSITY OF NEBRASKA BOARD OF REGENTS (US) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001044205-A2 | PHENANTHRYL PIPERAZINYL DICARBOXYLIC ACIDS AS SELECTIVE NMDA RECEPTOR MODULATING AGENTS | UNIVERSITY OF NEBRASKA BOARD OF REGENTS (US) | 2001-06-21 | — | — | WO | disclosed |