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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL27757099 | 1.00 | KMT2A (0.45) | KMT2AMEN1HTTLMNAHDAC1 | |
| SCHEMBL31081672 | 0.98 | KMT2A (0.46) | KMT2AMEN1HTTLMNAHDAC1 | |
| SCHEMBL1048524 | 0.98 | KMT2A (0.46) | KMT2AMEN1HTTLMNAHDAC1 | |
| Hydrochloric Acid SCHEMBL3930735 | 0.96 | KMT2A (0.45) | KMT2AMEN1HTTLMNAHDAC1 | |
| Hydrochloric Acid SCHEMBL27876958 | 0.96 | KMT2A (0.45) | KMT2AMEN1HTTLMNAHDAC1 | |
| SCHEMBL27853391 | 0.92 | HDAC1 (0.42) | KMT2AMEN1HTTLMNAHDAC1 | |
| SCHEMBL28156443 | 0.92 | HDAC1 (0.42) | KMT2AMEN1HTTLMNAHDAC1 | |
| SCHEMBL27671190 | 0.90 | HDAC1 (0.41) | KMT2AMEN1HTTLMNAHDAC1 | |
| SCHEMBL27674562 | 0.90 | HDAC1 (0.41) | KMT2AMEN1HTTLMNAHDAC1 | |
| SCHEMBL27671191 | 0.90 | HDAC1 (0.41) | KMT2AMEN1HTTLMNAHDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109337059-B | Ring-opening polymerization method of cyclic ester body by taking thiazolium salt as catalyst and preparation method of catalyst | 四川大学 | 2021-01-08 | — | — | CN | disclosed |
| EP-2044013-B1 | PROCESS FOR PRODUCING 2-HYDROXY-4-(METHYLTHIO)BUTYRATE COMPOUNDS AND INTERMEDIATES THEREOF | SUMITOMO CHEMICAL CO (JP) | 2013-05-29 | — | — | EP | disclosed |
| US-20090192328-A1 | PROCESS FOR PRODUCING 2-HYDROXY-4-(METHLTHIO)BUTYRATE COMPOUNDS AND INTERMEDIATES THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-07-30 | — | — | US | disclosed |
| EP-2044013-A1 | PROCESS FOR PRODUCING 2-HYDROXY-4-(METHYLTHIO)BUTYRATE COMPOUNDS AND INTERMEDIATES THEREOF | Sumitomo Chemical Company, Limited (JP) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008010609-A1 | PROCESS FOR PRODUCING 2-HYDROXY-4-(METHYLTHIO)BUTYRATE COMPOUNDS AND INTERMEDIATES THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-01-24 | — | — | 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 (1 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-20090192328-A1 | PROCESS FOR PRODUCING 2-HYDROXY-4-(METHLTHIO)BUTYRATE COMPOUNDS AND INTERMEDIATES THEREOF | HAO2, BBOX1, HAO1 | SIGMAR1 455/4885KMT2A 1091/4885MEN1 1652/4885 |
“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.