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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | CA3 | P07451 | 1/20 | 0.58 |
| ▸ | CA4 | P22748 | 1/20 | 0.58 |
| ▸ | CA6 | P23280 | 1/20 | 0.58 |
| ▸ | CA5A | P35218 | 1/20 | 0.58 |
| ▸ | CA7 | P43166 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.58 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 3/20 | 0.53 |
| ▸ | NOS3 | P29474 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1478837 | 0.98 | MEN1 (0.66) | MEN1KMT2ACA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL5506583 | 0.96 | MEN1 (0.63) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL18323991 | 0.86 | MEN1 (0.62) | MEN1KMT2ACA12CA1CA2 | |
| Urea SCHEMBL27623582 | 0.85 | CYP2C19 (0.61) | MEN1KMT2ACYP2C19IDO1NOS3 | |
| Carbamic Acid SCHEMBL28267319 | 0.85 | CYP2C19 (0.61) | MEN1KMT2ACYP2C19IDO1NOS3 | |
| SCHEMBL20395222 | 0.83 | CYP2C19 (0.59) | MEN1KMT2ACYP2C19SMN1; SMN2MAPT | |
| SCHEMBL499117 | 0.83 | CYP2C19 (0.64) | CYP2C19SMN1; SMN2MAPTRAB9ANPC1 | |
| SCHEMBL721637 | 0.81 | CYP2C19 (0.57) | CYP2C19SMN1; SMN2MAPTRAB9ANPC1 | |
| SCHEMBL7609151 | 0.81 | IDO1 (0.57) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL5840786 | 0.81 | CYP2C19 (0.57) | MEN1KMT2ACYP2C19SMN1; SMN2MAPT |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1752455-B1 | Chemokine receptor binding heterocyclic compounds | ANORMED INC (CA) | 2010-11-10 | — | — | EP | disclosed |
| US-7807694-B2 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION (US) | 2010-10-05 | — | — | US | disclosed |
| US-20100022582-A1 | Tetrahydroisoquinoline Compound and Medicinal Use Thereof | KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 2010-01-28 | — | — | US | disclosed |
| US-7354929-B2 | Cannabinoid receptor ligands and uses thereof | PFIZER INC. (US) | 2008-04-08 | — | — | US | disclosed |
| EP-1857444-A1 | TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF | Kyoto Pharmaceutical Industries, Ltd. (JP) | 2007-11-21 | — | — | EP | disclosed |
| US-20070105856-A1 | CANNABINOID RECEPTOR LIGANDS AND USES THEREOF | PFIZER INC | 2007-05-10 | — | — | US | disclosed |
| EP-1752455-A2 | Chemokine receptor binding heterocyclic compounds | ANORMED INC. (CA) | 2007-02-14 | — | — | EP | disclosed |
| US-7141669-B2 | Cannabiniod receptor ligands and uses thereof | PFIZER INC. (US) | 2006-11-28 | — | — | US | disclosed |
| US-20060252795-A1 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION | 2006-11-09 | — | — | US | disclosed |
| US-7091217-B2 | Chemokine receptor binding heterocyclic compounds | ANORMED, INC. (CA) | 2006-08-15 | — | — | US | disclosed |
| EP-1317451-B1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC (CA) | 2006-08-09 | — | — | EP | disclosed |
| EP-1622902-A1 | CANNABINOID RECEPTOR LIGANDS AND USES THEREOF | Pfizer Products Inc. (US) | 2006-02-08 | — | — | EP | disclosed |
| WO-2004094417-A1 | CANNABINOID RECEPTOR LIGANDS AND USES THEREOF | PFIZER PRODUCTS INC. (US) | 2004-11-04 | — | — | WO | disclosed |
| US-20040214838-A1 | Cannabinoid receptor ligands and uses thereof | PFIZER INC | 2004-10-28 | — | — | US | disclosed |
| US-20040171638-A1 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION | 2004-09-02 | — | — | US | disclosed |
| US-6734191-B2 | PREFERABLY TERTIARY AMINES COMPRISING TETRAHYDROQUINOLINE AND BENZIMIDAZOLE; USE TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND FELINE IMMUNODEFICIENCY VIRUS (FIV) | ANORMED, INC. (CA) | 2004-05-11 | — | — | US | disclosed |
| EP-1317451-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2003-06-11 | — | — | EP | disclosed |
| US-20030028022-A1 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION | 2003-02-06 | — | — | US | disclosed |
| WO-2002034745-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2002-05-02 | — | — | 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 (6 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-20100022582-A1 | Tetrahydroisoquinoline Compound and Medicinal Use Thereof | ACAT1, ACAT2, LCAT | MEN1 4401/4885KMT2A 343/4885CA12 2370/4885 |
| US-20060252795-A1 | Chemokine receptor binding heterocyclic compounds | CCR5, CXCR3, CCR2 | MEN1 4602/4885KMT2A 4449/4885CA12 4021/4885 |
| US-20040171638-A1 | Chemokine receptor binding heterocyclic compounds | CCR5, CXCR3, CCR2 | MEN1 4602/4885KMT2A 4449/4885CA12 4021/4885 |
| US-20070105856-A1 | CANNABINOID RECEPTOR LIGANDS AND USES THEREOF | CNR1, CNR2, GPR18 | MEN1 4519/4885KMT2A 3785/4885CA12 3453/4885 |
| US-20030028022-A1 | Chemokine receptor binding heterocyclic compounds | CCR5, CXCR3, CCR2 | MEN1 4602/4885KMT2A 4449/4885CA12 4021/4885 |
| US-20040214838-A1 | Cannabinoid receptor ligands and uses thereof | CNR1, CNR2, GPR18 | MEN1 4394/4885KMT2A 3816/4885CA12 3517/4885 |
“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.