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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 3/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | PDE8B | O95263 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3956722 | 0.98 | LOXL2 (0.47) | LOXL2TAAR1SLC6A3HDAC1HDAC6 | |
| SCHEMBL11779488 | 0.84 | LOXL2 (0.52) | LOXL2TAAR1HDAC1HDAC6AOC3 | |
| SCHEMBL2643512 | 0.82 | — | — | |
| SCHEMBL11926805 | 0.82 | SLC6A3 (0.49) | LOXL2SLC6A3HDAC1HDAC6DRD2 | |
| SCHEMBL2256127 | 0.79 | — | — | |
| SCHEMBL19668321 | 0.78 | LOXL2 (0.44) | LOXL2TAAR1SLC6A3HDAC1HDAC6 | |
| SCHEMBL4834831 | 0.78 | HDAC1 (0.59) | HDAC1HDAC6AOC3 | |
| Hydrochloric Acid SCHEMBL10988638 | 0.77 | SLC6A3 (0.46) | SLC6A3DRD2HTR2AHRH1PDE8B | |
| Ammonia Solution, Strong SCHEMBL27615021 | 0.77 | SLC6A3 (0.46) | SLC6A3DRD2HTR2AHRH1PDE8B | |
| SCHEMBL2821735 | 0.77 | SLC6A3 (0.47) | SLC6A3HDAC1HDAC6DRD2HTR2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8354418-B2 | Thiazolyl-dihydro-quinazolines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-01-15 | — | — | US | disclosed |
| CN-101460167-A | Thiazolyldihydrocyclopentapyrazoles for use as PI3-kinase inhibitors | BOEHRINGER INGELHEIM INT (DE) | 2009-06-17 | — | — | CN | disclosed |
| US-20090131424-A1 | THIAZOLYL-DIHYDRO-CHINAZOLINE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-21 | — | — | US | disclosed |
| US-7517995-B2 | Thiazolyl-dihydro-cyclopentapyrazole | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-14 | — | — | US | disclosed |
| EP-2007772-A1 | THIAZOLYL-DIHYDROQUINAZOLINES | Boehringer Ingelheim International GmbH (DE) | 2008-12-31 | — | — | EP | disclosed |
| US-20070259855-A1 | THIAZOLYL-DIHYDRO-INDAZOLE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-11-08 | — | — | US | disclosed |
| WO-2007115932-A1 | THIAZOLYL-DIHYDROQUINAZOLINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-10-18 | — | — | WO | disclosed |
| US-20070238746-A1 | THIAZOLYL-DIHYDRO-CHINAZOLINE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-10-11 | — | — | US | disclosed |
| US-20070238730-A1 | THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-10-11 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070259855-A1 | THIAZOLYL-DIHYDRO-INDAZOLE | ROR1, RORB, RORA | SLC6A3 261/4885LOXL2 4704/4885TAAR1 1485/4885 |
| US-20070238746-A1 | THIAZOLYL-DIHYDRO-CHINAZOLINE | CYP3A7, UGT2B7, UGT1A7 | SLC6A3 361/4885LOXL2 4150/4885TAAR1 503/4885 |
| US-20090131424-A1 | THIAZOLYL-DIHYDRO-CHINAZOLINE | CYP3A7, UGT2B7, UGT1A7 | SLC6A3 361/4885LOXL2 4150/4885TAAR1 503/4885 |
| US-20070238730-A1 | THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE | REN, ROR1, RORB | SLC6A3 305/4885LOXL2 4548/4885TAAR1 1158/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.