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 | |
|---|---|---|---|---|
| ▸ | ALAD | P13716 | 2/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 4/20 | 0.39 |
| ▸ | HNF4A | P41235 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10057578 | 0.98 | ALAD (0.46) | ALADMMP2HDAC6DAOHNF4A | |
| Bromide SCHEMBL1706892 | 0.81 | ALAD (0.41) | ALADHDAC6DAOLDHAMEN1 | |
| SCHEMBL1705807 | 0.79 | ALAD (0.42) | ALADHDAC6DAOLDHAMEN1 | |
| SCHEMBL2562013 | 0.78 | ALAD (0.44) | ALADHDAC6DAOHNF4AMEN1 | |
| Bromide SCHEMBL1706405 | 0.74 | KMO (0.51) | MMP2HNF4A | |
| SCHEMBL1761887 | 0.73 | ALAD (0.59) | ALADHDAC6DAOLDHAHPGDS | |
| SCHEMBL2406525 | 0.73 | MMP2 (0.50) | MMP2HNF4AMEN1KMT2AKDM4E | |
| Bromide SCHEMBL3361562 | 0.73 | HPGD (0.55) | MMP2HPGDSMEN1KMT2AKDM4E | |
| Bromide SCHEMBL3360705 | 0.73 | HPGD (0.55) | MMP2HPGDSMEN1KMT2AKDM4E | |
| SCHEMBL407806 | 0.72 | KMO (0.53) | MMP2HNF4A |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9120762-B2 | Salts of bicyclo-substituted pyrazolon azo derivatives, preparation method and use thereof | JIANGSU HENGRUI MEDICINE CO., LTD. (CN) | 2015-09-01 | — | — | US | disclosed |
| EP-2236500-B1 | BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | JIANGSU HENGRUI MEDICINE CO (CN) | 2014-12-24 | — | — | EP | disclosed |
| US-20140140953-A1 | SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2014-05-22 | — | — | US | disclosed |
| US-8642637-B2 | Salts of bicyclo-substituted pyrazolon azo derivatives, preparation method and use thereof | JIANGSU HENGRUI MEDICINE CO., LTD. (CN) | 2014-02-04 | — | — | US | disclosed |
| US-20130123507-A1 | BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) | 2013-05-16 | — | — | US | disclosed |
| US-8367710-B2 | Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof | JIANGSU HENGRUI MEDICINE CO. LTD. (CN) | 2013-02-05 | — | — | US | disclosed |
| US-20120164102-A1 | SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2012-06-28 | — | — | US | disclosed |
| EP-2441457-A1 | SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF | Jiangsu Hengrui Medicine Co., Ltd. (CN) | 2012-04-18 | — | — | EP | disclosed |
| US-20100316601-A1 | BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | JIANGSU HENGRUI MEDICINE CO. LTD. (CN) | 2010-12-16 | — | — | US | disclosed |
| EP-2236500-A1 | BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | Jiangsu Hengrui Medicine Co., Ltd. (CN) | 2010-10-06 | — | — | EP | 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-20130123507-A1 | BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | THPO, MPL, TEK | ALAD 2700/4885MMP2 3372/4885HDAC6 3563/4885 |
| US-20100316601-A1 | BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | THPO, MPL, TEK | ALAD 2700/4885MMP2 3372/4885HDAC6 3563/4885 |
| US-20140140953-A1 | SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF | THPO, MPL, TEK | ALAD 2926/4885MMP2 3917/4885HDAC6 3498/4885 |
| US-20120164102-A1 | SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF | THPO, MPL, TEK | ALAD 2926/4885MMP2 3917/4885HDAC6 3498/4885 |
“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.