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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EZH2 known ✓ | Q15910 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.50 |
| ▸ | CCND3 | P30281 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | EED | O75530 | 1/20 | 0.38 |
| ▸ | RBBP4 | Q09028 | 1/20 | 0.38 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.38 |
| ▸ | AEBP2 | Q6ZN18 | 1/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16277642 | 0.86 | TP53 (0.48) | CDK4CCND3ALDH1A1ADORA3GAA | |
| SCHEMBL2402160 | 0.81 | GRIA1 (0.42) | MEN1KMT2A | |
| SCHEMBL2401462 | 0.79 | CDK4 (0.47) | CDK4CCND3ALDH1A1ADORA3GAA | |
| SCHEMBL2401785 | 0.79 | ADORA3 (0.54) | CDK4CCND3ADORA3GAA | |
| SCHEMBL31244491 | 0.76 | GAA (0.48) | ALDH1A1GAAEEDRBBP4SUZ12 | |
| SCHEMBL16283454 | 0.75 | TP53 (0.49) | CDK4CCND3ALDH1A1ADORA3GAA | |
| SCHEMBL10282184 | 0.74 | GAA (0.46) | ALDH1A1GAAEEDRBBP4SUZ12 | |
| SCHEMBL31285477 | 0.74 | GAA (0.46) | ALDH1A1GAAEEDRBBP4SUZ12 | |
| SCHEMBL907923 | 0.73 | P2RY12 (0.49) | ALDH1A1 | |
| SCHEMBL31285458 | 0.72 | GAA (0.44) | ALDH1A1GAAEEDRBBP4SUZ12 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2545058-B1 | TETRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS INHIBITORS OF HISTAMINE RECEPTORS | KALYPSYS INC (US) | 2016-08-24 | — | — | EP | disclosed |
| US-8569300-B2 | Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease | KALYPSYS INC. (US) | 2013-10-29 | — | — | US | disclosed |
| EP-2545058-A2 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | Kalypsys, Inc. (US) | 2013-01-16 | — | — | EP | disclosed |
| US-20110237565-A1 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2011-09-29 | — | — | US | disclosed |
| WO-2011112766-A2 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2011-09-15 | — | — | WO | 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 (1 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-20110237565-A1 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | HRH4, HRH3, HRH2 | EZH2 1014/4885CDK4 1364/4885CCND3 2517/4885 |
“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.