Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16587894 | 1.00 | PYCR1 (0.33) | PYCR1KDM4ECYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL11899526 | 0.79 | S1PR4 (0.30) | — | |
| SCHEMBL6902180 | 0.79 | S1PR4 (0.30) | — | |
| SCHEMBL15992024 | 0.77 | SMN1; SMN2 (0.38) | KDM4ECYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL3232642 | 0.77 | SMN1; SMN2 (0.38) | KDM4ECYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL31391835 | 0.77 | SMN1; SMN2 (0.38) | KDM4ECYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL6903569 | 0.76 | CYP2C9 (0.38) | CYP1A2ALDH1A1CYP2C9 | |
| SCHEMBL11918391 | 0.76 | CYP2C9 (0.38) | CYP1A2ALDH1A1CYP2C9 | |
| SCHEMBL1832351 | 0.76 | CYP2C9 (0.38) | CYP1A2ALDH1A1CYP2C9 | |
| SCHEMBL24238280 | 0.73 | HTR2A (0.40) | CYP1A2ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2493297-B1 | HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS | MERCK SHARP & DOHME (US) | 2016-08-17 | — | — | EP | disclosed |
| US-8987310-B2 | Heterocycle amide T-type calcium channel antagonists | MERCK SHARP & DOHME CORP. (US) | 2015-03-24 | — | — | US | disclosed |
| EP-2493297-A1 | HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2012-09-05 | — | — | EP | disclosed |
| US-20120202852-A1 | HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS | MERCK SHARP & DOHME LLC | 2012-08-09 | — | — | US | disclosed |
| US-20120202852-A1 | HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS | MERCK SHARP & DOHME LLC | 2012-08-09 | — | — | US | disclosed |
| WO-2011053542-A1 | HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-05-05 | — | — | 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-20120202852-A1 | HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS | CACNA1G, CACNA1H, CACNA1I | PYCR1 1816/4885KDM4E 3538/4885CYP1A2 2755/4885 |
“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.