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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | S100A4 | P26447 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL393095 | 0.98 | THRB (0.59) | THRBTDP1APEX1PDK2ALDH1A1 | |
| Bromomethane SCHEMBL209152 | 0.94 | THRB (0.55) | THRBTDP1APEX1PDK2ALDH1A1 | |
| Propanol SCHEMBL27824438 | 0.89 | THRB (0.47) | THRBTDP1APEX1PDK2ALDH1A1 | |
| Nonane SCHEMBL27848744 | 0.85 | TDP1 (0.47) | THRBTDP1APEX1KMT2A | |
| SCHEMBL6781995 | 0.81 | THRB (0.47) | THRBTDP1APEX1PDK2ALDH1A1 | |
| SCHEMBL4636505 | 0.80 | THRB (0.48) | THRBTDP1APEX1PDK2ALDH1A1 | |
| Bromide SCHEMBL27803566 | 0.79 | TDP1 (0.38) | THRBTDP1APEX1PDK2KMT2A | |
| SCHEMBL9938667 | 0.78 | THRB (0.47) | THRBTDP1APEX1PDK2ALDH1A1 | |
| SCHEMBL30888607 | 0.78 | THRB (0.47) | THRBTDP1APEX1PDK2ALDH1A1 | |
| Bromide SCHEMBL27743790 | 0.78 | ALOX5 (0.40) | THRBTDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103172589-A | Thiazolyl-dihydroquinazolines | BOEHRINGER INGELHEIM INT | 2013-06-26 | — | — | CN | disclosed |
| CN-101460505-B | Thiazolyl-dihydro-quinazolines | BOEHRINGER INGELHEIM INT | 2013-03-20 | — | — | CN | disclosed |
| CN-101466717-A | Thiazolyldihydroindazoles | BOEHRINGER INGELHEIM INT (DE) | 2009-06-24 | — | — | CN | disclosed |
| CN-101460508-A | Thiazolyl-dihydro-chinazoline | BOEHRINGER INGELHEIM INT (DE) | 2009-06-17 | — | — | CN | disclosed |
| CN-101460505-A | Thiazolyl-dihydro-quinazolines | BOEHRINGER INGELHEIM INT (DE) | 2009-06-17 | — | — | CN | disclosed |
| CN-101460507-A | Thiazolyldihydroindazoles | BOEHRINGER INGELHEIM INT (DE) | 2009-06-17 | — | — | CN | disclosed |