Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.47 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.47 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.47 |
| ▸ | ANPEP | P15144 | 1/20 | 0.45 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.45 |
| ▸ | PLA2G10 | O15496 | 3/20 | 0.43 |
| ▸ | MME | P08473 | 2/20 | 0.41 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KISS1R | Q969F8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CPA1 | P15085 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13851759 | 1.00 | CACNA2D1 (0.47) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL24965252 | 1.00 | CACNA2D1 (0.47) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL585119 | 0.83 | ANPEP (0.48) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL17992778 | 0.82 | ALDH1A1 (0.50) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL25641484 | 0.82 | ALDH1A1 (0.50) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL20342119 | 0.82 | ALDH1A1 (0.50) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL15592753 | 0.80 | CACNA2D1 (0.45) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL27773495 | 0.80 | PLA2G10 (0.49) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL27752676 | 0.80 | PLA2G10 (0.49) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL13851589 | 0.80 | CACNA2D1 (0.45) | CACNA2D1CACNB3CACNA1CPGRADRA1A |
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-9062028-B2 | Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-06-23 | — | — | US | disclosed |
| US-20140080788-A1 | NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY | 2014-03-20 | — | — | US | disclosed |
| US-20120071329-A1 | METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | US | disclosed |
| US-20110251089-A1 | METHODS FOR SYNTHESIS OF ENCODED LIBRARIES | GLAXOSMITHKLINE (US) | 2011-10-13 | — | — | US | disclosed |
| US-7989395-B2 | Methods for identifying compounds of interest using encoded libraries | GLAXOSMITHKLINE LLC (US) | 2011-08-02 | — | — | US | disclosed |
| US-7935658-B2 | Methods for synthesis of encoded libraries | PRAECIS PHARMACEUTICALS, INC. (US) | 2011-05-03 | — | — | US | disclosed |
| US-20090062147-A1 | Methods for synthesis of encoded libraries | PRAECIS PHARMACEUTICALS INCORPORATED (US) | 2009-03-05 | — | — | 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-20110251089-A1 | METHODS FOR SYNTHESIS OF ENCODED LIBRARIES | RNGTT, DTYMK, DUT | CACNA2D1 4673/4885CACNB3 3674/4885CACNA1C 4770/4885 |
| US-20140080788-A1 | NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS | GRK5, GPBAR1, GPR55 | CACNA2D1 3895/4885CACNB3 2520/4885CACNA1C 1834/4885 |
“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.