Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.90 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.90 |
| ▸ | CACNA1C | Q13936 | 6/20 | 0.90 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.90 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.90 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.90 |
| ▸ | MAPT | P10636 | 4/20 | 0.90 |
| ▸ | LMNA | P02545 | 3/20 | 0.90 |
| ▸ | TSHR | P16473 | 3/20 | 0.90 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.90 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.90 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.90 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.90 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.90 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.90 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.90 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.90 |
| ▸ | SCN1A | P35498 | 2/20 | 0.90 |
| ▸ | HTR2B | P41595 | 2/20 | 0.90 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.90 |
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 | |
|---|---|---|---|---|
| Nifedipine SCHEMBL1172946 | 0.95 | ADORA3 (1.00) | ADORA3CYP1A2CACNA1CCYP3A4CYP2C9 | |
| Nifedipine SCHEMBL29349595 | 0.95 | ADORA3 (1.00) | ADORA3CYP1A2CACNA1CCYP3A4CYP2C9 | |
| Nifedipine SCHEMBL3968 | 0.95 | ADORA3 (1.00) | ADORA3CYP1A2CACNA1CCYP3A4CYP2C9 | |
| Nifedipine SCHEMBL28674741 | 0.94 | ADORA3 (0.93) | ADORA3CYP1A2CACNA1CCYP3A4CYP2C9 | |
| Nifedipine SCHEMBL8851402 | 0.94 | ADORA3 (0.97) | ADORA3CYP1A2CACNA1CCYP3A4CYP2C9 | |
| Nifedipine SCHEMBL27961697 | 0.94 | ADORA3 (0.97) | ADORA3CYP1A2CACNA1CCYP3A4CYP2C9 | |
| Nifedipine SCHEMBL8851397 | 0.94 | ADORA3 (0.97) | ADORA3CYP1A2CACNA1CCYP3A4CYP2C9 | |
| Nifedipine SCHEMBL3858071 | 0.94 | ADORA3 (0.97) | ADORA3CYP1A2CACNA1CCYP3A4CYP2C9 | |
| Nifedipine SCHEMBL5694031 | 0.94 | ADORA3 (0.97) | ADORA3CYP1A2CACNA1CCYP3A4CYP2C9 | |
| Nifedipine SCHEMBL27076589 | 0.94 | ADORA3 (0.97) | ADORA3CYP1A2CACNA1CCYP3A4CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080139584-A1 | Administering calcium channel blocker such as 3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-dimethyl ester or derivative; hemorrheologic agent such as 1-(5-oxohexyl)-3,7-dimethylxanthine or salt; and 2-(2-ethoxy-ethoxy)-ethanol dermal penetration agent | MEDERGO ASSOCIATES, LLC | 2008-06-12 | — | — | 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-20080139584-A1 | Administering calcium channel blocker such as 3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-dimethyl ester or derivative; hemorrheologic agent such as 1-(5-oxohexyl)-3,7-dimethylxanthine or salt; and 2-(2-ethoxy-ethoxy)-ethanol dermal penetration agent | TRPV1, ORAI1, CACNB1 | ADORA3 863/4885CYP1A2 955/4885CACNA1C 4/4885 |
“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.