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 | 7/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6834551 | 0.99 | KDM4E (0.55) | ALDH1A1KDM4EHPGDHDAC1HDAC2 | |
| SCHEMBL30896202 | 0.99 | KDM4E (0.55) | ALDH1A1KDM4EHPGDHDAC1HDAC2 | |
| Ammonia Solution, Strong SCHEMBL27888749 | 0.97 | KDM4E (0.54) | ALDH1A1KDM4EHPGDHDAC1HDAC2 | |
| SCHEMBL12597249 | 0.81 | CYSLTR2 (0.44) | ALDH1A1KDM4EHPGDNPC1KMT2A | |
| SCHEMBL12940726 | 0.81 | HDAC1 (0.47) | ALDH1A1KDM4EHDAC1HDAC2NPC1 | |
| SCHEMBL31434375 | 0.81 | NCF1 (0.54) | ALDH1A1KDM4EHPGDHDAC1HDAC2 | |
| SCHEMBL1403568 | 0.77 | PTGS1 (0.67) | ALDH1A1KDM4EHPGDNPC1KMT2A | |
| SCHEMBL4728631 | 0.77 | CYSLTR2 (0.60) | ALDH1A1KDM4EHPGDNPC1KMT2A | |
| SCHEMBL28434347 | 0.77 | KDM4E (0.65) | ALDH1A1KDM4EHPGDHDAC1HDAC2 | |
| SCHEMBL7835368 | 0.77 | NCF1 (0.59) | ALDH1A1KDM4EHPGDHDAC1HDAC2 |
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-110198930-A | Pyrimidine derivatives | 第一三共株式会社 | 2019-09-03 | — | — | CN | disclosed |