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 | |
|---|---|---|---|---|
| ▸ | CTPS1 | P17812 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | PRKCZ | Q05513 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | NCOA2 | Q15596 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL234370 | 0.98 | CTPS1 (0.42) | CTPS1GAADAOALDH1A1KDM4E | |
| SCHEMBL7351305 | 0.78 | ALDH1A1 (0.49) | GAAALDH1A1HPGDLMNAPRKCZ | |
| SCHEMBL6369543 | 0.78 | ALAD (0.49) | GAAALDH1A1KDM4EHPGDLMNA | |
| SCHEMBL3116336 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL1522363 | 0.77 | ALDH1A1 (0.51) | GAAALDH1A1KDM4EHPGDLMNA | |
| SCHEMBL131369 | 0.76 | DAO (0.67) | CTPS1DAOALDH1A1KDM4EHPGD | |
| SCHEMBL1529765 | 0.76 | CES2 (0.59) | CTPS1DAOALDH1A1KDM4EHPGD | |
| SCHEMBL70248 | 0.76 | CA1 (0.47) | CTPS1GAADAOALDH1A1KDM4E | |
| SCHEMBL161928 | 0.76 | CTPS1 (0.43) | CTPS1GAADAOALDH1A1KDM4E | |
| SCHEMBL294584 | 0.76 | CA12 (0.47) | CTPS1GAADAOALDH1A1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9725459-B2 | 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I | GRUNENTHAL GMBH (DE) | 2017-08-08 | — | — | US | disclosed |
| EP-3140309-A1 | 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I | Grünenthal GmbH (DE) | 2017-03-15 | — | — | EP | disclosed |
| WO-2015161928-A1 | 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I | Grünenthal GmbH (DE) | 2015-10-29 | — | — | WO | disclosed |
| US-20150307507-A1 | 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I | Grünenthal GmbH (DE) | 2015-10-29 | — | — | US | 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-20150307507-A1 | 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I | CTSK, OPRK1, CAT | CTPS1 2319/4885GAA 764/4885DAO 741/4885 |
“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.