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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | PPARD | Q03181 | 2/20 | 0.45 |
| ▸ | PPARA | Q07869 | 2/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.45 |
| ▸ | GABRP | O00591 | 1/20 | 0.44 |
| ▸ | GABRD | O14764 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27455560 | 0.99 | ALDH1A1 (0.52) | ALDH1A1PTGS1RXFP1HDAC3HDAC1 | |
| Bromide SCHEMBL7613349 | 0.84 | ALDH1A1 (0.69) | ALDH1A1HDAC3HDAC1GABRPGABRD | |
| SCHEMBL27457577 | 0.84 | ALDH1A1 (0.49) | ALDH1A1PTGS1RXFP1HDAC3HDAC1 | |
| SCHEMBL11243814 | 0.83 | ALDH1A1 (0.51) | ALDH1A1RXFP1GABRPGABRDGABRA1 | |
| SCHEMBL11303046 | 0.83 | ALDH1A1 (0.71) | ALDH1A1HDAC3HDAC1GABRPGABRD | |
| Bromide SCHEMBL7622448 | 0.79 | HCAR2 (0.57) | ALDH1A1HDAC3HDAC1NPC1RAB9A | |
| SCHEMBL27469650 | 0.77 | HCAR2 (0.59) | ALDH1A1HDAC3HDAC1NPC1RAB9A | |
| Bromide SCHEMBL7617639 | 0.76 | GABRP (0.52) | ALDH1A1HDAC3HDAC1GABRPGABRD | |
| SCHEMBL15775396 | 0.76 | PTGS1 (0.68) | PTGS1RXFP1PPARGPPARDPPARA | |
| SCHEMBL7617872 | 0.76 | HTT (0.61) | ALDH1A1HDAC3HDAC1PPARGPPARD |
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-0739903-B1 | CARBAMOYLMETHYLUREA DERIVATIVE | SHIONOGI & CO (JP) | 2002-01-23 | — | — | EP | disclosed |
| US-5739162-A | ANTAGONIST FOR GASTRIN AND/OR CHOLECYSTOKININ B-NOT A-RECEPTORS; SIDE EFFECT REDUCTION; ANTIULCER AGENTS; OPIOD-ENHANCING ANALGESICS; GASTROINTESTINAL DISORDERS; ANXIOLYTIC AGENTS | SHIONOGI & CO., LTD. (JP) | 1998-04-14 | — | — | US | disclosed |
| EP-0739903-A1 | CARBAMOYLMETHYLUREA DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1996-10-30 | — | — | EP | disclosed |