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 | 6/20 | 0.95 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.95 |
| ▸ | TSHR | P16473 | 2/20 | 0.95 |
| ▸ | CA2 | P00918 | 5/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | TYR | P14679 | 2/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | MIF | P14174 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL22729938 | 0.97 | ALDH1A1 (1.00) | ALDH1A1TDP1TSHRCA2ALOX15 | |
| SCHEMBL51803 | 0.97 | ALDH1A1 (1.00) | ALDH1A1TDP1TSHRCA2ALOX15 | |
| SCHEMBL29358279 | 0.97 | ALDH1A1 (1.00) | ALDH1A1TDP1TSHRCA2ALOX15 | |
| Ethyne SCHEMBL3701741 | 0.95 | ALDH1A1 (0.95) | ALDH1A1TDP1TSHRCA2ALOX15 | |
| Hydrogen Sulfide SCHEMBL4882848 | 0.95 | ALDH1A1 (0.95) | ALDH1A1TDP1TSHRCA2ALOX15 | |
| SCHEMBL23542116 | 0.95 | ALDH1A1 (0.95) | ALDH1A1TDP1TSHRCA2ALOX15 | |
| Hydrogen Sulfide SCHEMBL11637129 | 0.95 | ALDH1A1 (0.95) | ALDH1A1TDP1TSHRCA2ALOX15 | |
| Hydrogen Sulfide SCHEMBL9744629 | 0.95 | ALDH1A1 (0.95) | ALDH1A1TDP1TSHRCA2ALOX15 | |
| Ethane SCHEMBL8319752 | 0.95 | ALDH1A1 (0.95) | ALDH1A1TDP1TSHRCA2ALOX15 | |
| Hydrogen Sulfide SCHEMBL15667759 | 0.95 | ALDH1A1 (0.95) | ALDH1A1TDP1TSHRCA2ALOX15 |
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-1394152-A1 | 2-IMINOIMIDAZOLE DERIVATIVES (1) | Eisai Co., Ltd. (JP) | 2004-03-03 | — | — | EP | disclosed |
| EP-1386912-A1 | CYCLIC AMIDINE DERIVATIVE | Eisai Co., Ltd. (JP) | 2004-02-04 | — | — | EP | disclosed |