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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.62 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CCR1 | P32246 | 2/20 | 0.54 |
| ▸ | CCR5 | P51681 | 2/20 | 0.54 |
| ▸ | CCR8 | P51685 | 2/20 | 0.54 |
| ▸ | METAP1 | P53582 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.54 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.54 |
| ▸ | MET | P08581 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1669339 | 0.98 | NPC1 (0.65) | NPC1RAB9APOLBALDH1A1HPGD | |
| SCHEMBL29582340 | 0.98 | NPC1 (0.65) | NPC1RAB9APOLBALDH1A1HPGD | |
| SCHEMBL2956276 | 0.96 | NPC1 (0.62) | NPC1RAB9APOLBALDH1A1HPGD | |
| SCHEMBL28094694 | 0.96 | NPC1 (0.62) | NPC1RAB9APOLBALDH1A1HPGD | |
| SCHEMBL28094546 | 0.96 | NPC1 (0.62) | NPC1RAB9APOLBALDH1A1HPGD | |
| SCHEMBL6838044 | 0.96 | NPC1 (0.62) | NPC1RAB9APOLBALDH1A1HPGD | |
| Phenol SCHEMBL27663252 | 0.87 | KDM4E (0.54) | NPC1RAB9APOLBALDH1A1HPGD | |
| SCHEMBL1566968 | 0.86 | KDM4E (0.72) | NPC1RAB9APOLBALDH1A1HPGD | |
| SCHEMBL30989133 | 0.86 | KDM4E (0.72) | NPC1RAB9APOLBALDH1A1HPGD | |
| SCHEMBL30989132 | 0.86 | KDM4E (0.72) | NPC1RAB9APOLBALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101258138-B | Phenoxypropylpiperidines and -pyrrolidines and their use as histamine h3-receptor ligands | BIOPROJET SOC CIV | 2013-06-12 | — | — | CN | disclosed |