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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 4/20 | 0.60 |
| ▸ | F2 | P00734 | 2/20 | 0.60 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | ACACA | Q13085 | 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 | |
|---|---|---|---|---|
| SCHEMBL3538064 | 0.99 | F10 (0.61) | F10F2GABRA5GABRB2HSD17B10 | |
| SCHEMBL3545335 | 0.94 | F2 (0.56) | F10F2GABRA5GABRB2HSD17B10 | |
| SCHEMBL20640293 | 0.87 | KDM4E (0.51) | F10F2GABRA5GABRB2HSD17B10 | |
| SCHEMBL14159379 | 0.87 | GABRA5 (0.54) | F10F2GABRA5GABRB2HSD17B10 | |
| SCHEMBL3538059 | 0.85 | F10 (0.59) | F10F2L3MBTL3L3MBTL1HSD11B1 | |
| SCHEMBL20648977 | 0.85 | F2 (0.46) | F10F2GABRA5GABRB2HSD17B10 | |
| SCHEMBL19820647 | 0.85 | HSD17B10 (0.47) | F10F2GABRA5GABRB2HSD17B10 | |
| Hydrochloric Acid SCHEMBL20640317 | 0.84 | HSD17B10 (0.46) | F10F2GABRA5GABRB2HSD17B10 | |
| Hydrochloric Acid SCHEMBL19814023 | 0.84 | HSD17B10 (0.46) | F10F2GABRA5GABRB2HSD17B10 | |
| SCHEMBL21875723 | 0.83 | F2 (0.45) | F10F2GABRA5GABRB2HSD17B10 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7718659-B2 | Heteroarylacetamide inhibitors of factor Xa | HOFFMANN-LA ROCHE INC. (US) | 2010-05-18 | — | — | US | disclosed |
| US-20080146550-A1 | HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa | BOEHRINGER MARKUS | 2008-06-19 | — | — | US | disclosed |
| EP-1846381-B1 | HETEROARYLACETAMIDES AS FACTOR Xa INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-05-28 | — | — | EP | disclosed |
| US-7361672-B2 | Heteroarylacetamide inhibitors of factor Xa | HOFFMANN-LA ROCHE INC. (US) | 2008-04-22 | — | — | US | disclosed |
| EP-1846381-A2 | NOVEL HETEROARYLACETAMIDES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-10-24 | — | — | EP | disclosed |
| US-20060142362-A1 | Pyrazoles, triazoles, or tetrazoles substituted with an aryl- or heteroarylcarbonylamino group and an aminocarbonylmethyl group: 5-chloro-thiophene-2-carboxylic acid (1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-1H-[1,2,4]triazol-3-yl)-amide; improved selectivity towards thrombin | F. HOFFMANN-LA ROCHE AG (CH) | 2006-06-29 | — | — | US | disclosed |
| WO-2006066778-A2 | NOVEL HETEROARYLACETAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-06-29 | — | — | 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 (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-20080146550-A1 | HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa | F12, TFPI, F2 | ACHE 78/4885F10 9/4885F2 3/4885 |
| US-20060142362-A1 | Pyrazoles, triazoles, or tetrazoles substituted with an aryl- or heteroarylcarbonylamino group and an aminocarbonylmethyl group: 5-chloro-thiophene-2-carboxylic acid (1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-1H-[1,2,4]triazol-3-yl)-amide; improved selectivity towards thrombin | F2, TFPI, F11 | ACHE 523/4885F10 24/4885F2 1/4885 |
“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.