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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 7/20 | 0.82 |
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.67 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.67 |
| ▸ | DRD2 | P14416 | 2/20 | 0.74 |
| ▸ | DRD4 | P21917 | 2/20 | 0.74 |
| ▸ | KDM1A | O60341 | 2/20 | 0.74 |
| ▸ | TBXA2R | P21731 | 7/20 | 0.70 |
| ▸ | MEN1 | O00255 | 1/20 | 0.70 |
| ▸ | ABL1 | P00519 | 1/20 | 0.70 |
| ▸ | ALPL | P05186 | 1/20 | 0.70 |
| ▸ | GAA | P10253 | 1/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.70 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL3554423 | 0.99 | ADRB2 (0.85) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| SCHEMBL3552585 | 0.99 | ADRB2 (0.85) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| SCHEMBL13344579 | 0.99 | ADRB2 (0.85) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| Hydrochloric Acid SCHEMBL3544374 | 0.97 | ADRB2 (0.82) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| SCHEMBL9592271 | 0.91 | ADRB2 (1.00) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| (+)-Higenamine SCHEMBL5898932 | 0.87 | DRD2 (0.97) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| (-)-Higenamine SCHEMBL5898916 | 0.87 | DRD2 (0.97) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| Bromide SCHEMBL5097119 | 0.85 | ADRB2 (0.75) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| Higenamine SCHEMBL636788 | 0.85 | DRD2 (1.00) | ADRB2DRD2DRD4KDM1ATBXA2R | |
| (+)-Higenamine SCHEMBL5898913 | 0.85 | DRD2 (1.00) | ADRB2DRD2DRD4KDM1ATBXA2R |
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 |
|---|---|---|---|---|---|---|---|
| US-7718672-B2 | Substituted tetrahydroisoquinoline compounds, methods of making, and their use | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2010-05-18 | — | — | US | disclosed |
| US-20080033007-A1 | Substituted Tetrahydroisoquinoline Compounds for Cancer Therapy | MILLER DUANE D | 2008-02-07 | — | — | US | disclosed |
| US-20070270460-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE | MILLER DUANE D | 2007-11-22 | — | — | US | disclosed |
| US-7241774-B2 | Substituted tetrahydroisoquinoline compounds, methods of making, and their use | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2007-07-10 | — | — | US | disclosed |
| US-20040019078-A1 | Substituted tetrahydroisoquinoline compounds, methods of making, and their use | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION,THE | 2004-01-29 | — | — | 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 (3 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-20080033007-A1 | Substituted Tetrahydroisoquinoline Compounds for Cancer Therapy | BAD, TP53, MCL1 | ADRB2 4360/4885ADRB1 4249/4885ADRB3 4250/4885 |
| US-20070270460-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE | BAX, CASP3, BAD | ADRB2 2868/4885ADRB1 2820/4885ADRB3 2244/4885 |
| US-20040019078-A1 | Substituted tetrahydroisoquinoline compounds, methods of making, and their use | BAD, BAX, CASP3 | ADRB2 2857/4885ADRB1 2762/4885ADRB3 2227/4885 |
“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.