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 | 0.41 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.39 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 2/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.37 |
| ▸ | TUBB | P07437 | 2/20 | 0.37 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.37 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.37 |
| ▸ | TUBA4A | P68366 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1705807 | 0.99 | ALAD (0.42) | ALADIKBKETBK1ALDH1A1LMNA | |
| Bromide SCHEMBL1706568 | 0.81 | ALAD (0.45) | ALADALDH1A1LMNAHSD17B10MAPT | |
| SCHEMBL10057578 | 0.79 | ALAD (0.46) | ALADALDH1A1LMNAHSD17B10MAPT | |
| SCHEMBL1705942 | 0.79 | EIF4E (0.43) | ALADALDH1A1MAPTTUBB4ATUBB | |
| SCHEMBL5925098 | 0.76 | KDM4E (0.47) | ALADALDH1A1HSD17B10HPGDDAO | |
| SCHEMBL28248347 | 0.75 | ALDH1A1 (0.47) | ALDH1A1LMNAHSD17B10MAPTHPGD | |
| SCHEMBL1705731 | 0.75 | STIM1 (0.48) | LMNAMEN1KMT2AGAA | |
| SCHEMBL3361353 | 0.74 | HPGD (0.54) | ALDH1A1HPGDMEN1KMT2AKDM4E | |
| SCHEMBL3364700 | 0.73 | NOTUM (0.43) | ALDH1A1LMNAMAPTHPGDKDM4E | |
| SCHEMBL1706278 | 0.72 | KDM4E (0.38) | ALDH1A1LMNAHSD17B10MAPTHPGD |
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-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-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 (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-20100316601-A1 | BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | THPO, MPL, TEK | ALAD 2700/4885IKBKE 1780/4885TBK1 2714/4885 |
| US-20140140953-A1 | SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF | THPO, MPL, TEK | ALAD 2926/4885IKBKE 1672/4885TBK1 3751/4885 |
| US-20120164102-A1 | SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF | THPO, MPL, TEK | ALAD 2926/4885IKBKE 1672/4885TBK1 3751/4885 |
“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.