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 | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.44 |
| ▸ | PPIB | P23284 | 1/20 | 0.42 |
| ▸ | PPIA | P62937 | 1/20 | 0.42 |
| ▸ | PPID | Q08752 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | DDT | P30046 | 1/20 | 0.42 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2408910 | 0.99 | KMO (0.47) | KMOERN1AKR1C3AKR1C2PPIB | |
| Bromide SCHEMBL1706405 | 0.82 | KMO (0.51) | KMOERN1RXRARXRBDDT | |
| SCHEMBL2407332 | 0.81 | RXRA (0.58) | KMOERN1RXRARXRBDDT | |
| SCHEMBL2404438 | 0.81 | KMO (0.47) | KMOAKR1C3AKR1C2RXRARXRB | |
| SCHEMBL29629597 | 0.80 | KMO (0.53) | KMOERN1RXRARXRBDDT | |
| SCHEMBL407806 | 0.80 | KMO (0.53) | KMOERN1RXRARXRBDDT | |
| Hydrochloric Acid SCHEMBL3365401 | 0.80 | KMO (0.46) | KMOAKR1C3AKR1C2RXRARXRB | |
| Hydrochloric Acid SCHEMBL4861328 | 0.79 | KMO (0.51) | KMOERN1RXRARXRBDDT | |
| Bromide SCHEMBL3516464 | 0.79 | ERN1 (0.56) | KMOERN1PPIAPPIDPIN1 | |
| SCHEMBL3360547 | 0.77 | ERN1 (0.57) | KMOERN1PPIAPPIDPIN1 |
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-2236500-B1 | BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | JIANGSU HENGRUI MEDICINE CO (CN) | 2014-12-24 | — | — | EP | 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-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 (2 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 | KMO 599/4885ERN1 4746/4885AKR1C3 969/4885 |
| US-20100316601-A1 | BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | THPO, MPL, TEK | KMO 599/4885ERN1 4746/4885AKR1C3 969/4885 |
“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.