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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.38 |
| ▸ | PTPRC | P08575 | 3/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL49498 | 0.98 | PTPRC (0.39) | PTPN1PTPRCIDO1MEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL27769335 | 0.96 | PTPN1 (0.38) | PTPN1PTPRCIDO1MEN1KMT2A | |
| Fluoride SCHEMBL27765937 | 0.96 | PTPN1 (0.38) | PTPN1PTPRCIDO1MEN1KMT2A | |
| SCHEMBL678826 | 0.96 | PTPN1 (0.38) | PTPN1PTPRCIDO1MEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL27759355 | 0.96 | PTPN1 (0.38) | PTPN1PTPRCIDO1MEN1KMT2A | |
| SCHEMBL28084319 | 0.96 | PTPN1 (0.38) | PTPN1PTPRCIDO1MEN1KMT2A | |
| Benzene SCHEMBL5334270 | 0.96 | PTPN1 (0.38) | PTPN1PTPRCIDO1MEN1KMT2A | |
| Methane SCHEMBL29033872 | 0.96 | PTPN1 (0.38) | PTPN1PTPRCIDO1MEN1KMT2A | |
| Hydrogen Peroxide SCHEMBL10883274 | 0.95 | PTPN1 (0.37) | PTPN1PTPRCIDO1MEN1KMT2A | |
| Methyl Alcohol SCHEMBL8893369 | 0.93 | PTPN1 (0.36) | PTPN1PTPRCIDO1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-106188037-A | A kind of compound based on 1,8-diaza-9-Fluorenone and application thereof | 中节能万润股份有限公司 | 2016-12-07 | — | — | CN | claimed |
| CN-106188037-A | A kind of compound based on 1,8-diaza-9-Fluorenone and application thereof | 中节能万润股份有限公司 | 2016-12-07 | — | — | CN | disclosed |