Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Niguldipine. 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 | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 9/20 | 0.98 |
| ▸ | ADRA2A | P08913 | 8/20 | 0.98 |
| ▸ | ADRA2B | P18089 | 8/20 | 0.98 |
| ▸ | ADRA2C | P18825 | 8/20 | 0.98 |
| ▸ | ADRA1D | P25100 | 8/20 | 0.98 |
| ▸ | ADRA1B | P35368 | 8/20 | 0.98 |
| ▸ | MAPT | P10636 | 5/20 | 0.98 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.98 |
| ▸ | MEN1 | O00255 | 4/20 | 0.98 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.98 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.98 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.98 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.98 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.98 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.98 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.98 |
| ▸ | TP53 | P04637 | 1/20 | 0.98 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.98 |
| ▸ | HTR1A | P08908 | 1/20 | 0.98 |
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 | |
|---|---|---|---|---|
| Niguldipine SCHEMBL245992 | 0.99 | ADRA1A (1.00) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| Dexniguldipine SCHEMBL724137 | 0.99 | ADRA1A (1.00) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| Niguldipine SCHEMBL29385244 | 0.99 | ADRA1A (1.00) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| Dexniguldipine SCHEMBL29615752 | 0.99 | ADRA1A (1.00) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| Niguldipine SCHEMBL29386264 | 0.99 | ADRA1A (1.00) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| Niguldipine SCHEMBL245993 | 0.99 | ADRA1A (1.00) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| Niguldipine SCHEMBL9001404 | 0.98 | ADRA1A (1.00) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| Niguldipine SCHEMBL467245 | 0.98 | ADRA1A (1.00) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| Dexniguldipine SCHEMBL1228966 | 0.98 | ADRA1A (1.00) | ADRA1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL9386117 | 0.97 | ADRA1A (0.95) | ADRA1AADRA2AADRA2BADRA2CADRA1D |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090197833-A1 | Silicon Containing Compounds Having Selective Cox-2 Inhibitory Activity and Methods of Making and Using the Same | ENGLEBIENNE & ASSOCIATES (BE) | 2009-08-06 | — | — | US | disclosed |
| US-7521435-B2 | Silicon containing compounds having selective COX-2 inhibitory activity and methods of making and using the same | PHARMA DIAGNOSTICS, N.V. (BE) | 2009-04-21 | — | — | US | disclosed |
| US-20060258619-A1 | Silicon containing compounds having selective COX-2 inhibitory activity and methods of making and using the same | PHARMA DIAGNOSTICS N.V. (BE) | 2006-11-16 | — | — | 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 (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-20060258619-A1 | Silicon containing compounds having selective COX-2 inhibitory activity and methods of making and using the same | PTGS2, PTGES2, PTGS1 | ADRA1A 4846/4885ADRA2A 4094/4885ADRA2B 4389/4885 |
| US-20090197833-A1 | Silicon Containing Compounds Having Selective Cox-2 Inhibitory Activity and Methods of Making and Using the Same | PTGS2, PTGES2, PTGS1 | ADRA1A 4846/4885ADRA2A 4094/4885ADRA2B 4389/4885 |
“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.