Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 3/20 | 0.56 |
| ▸ | GRIN1 | Q05586 | 13/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 13/20 | 0.48 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL390246 | 0.84 | DPP4 (0.56) | DPP4GRIN1GRIN2BNOX4KMT2A | |
| SCHEMBL16845974 | 0.80 | DPP4 (0.53) | DPP4GRIN1GRIN2BNOX4KMT2A | |
| SCHEMBL8417573 | 0.77 | DPP4 (0.57) | DPP4NOX4KMT2AOPRM1OPRK1 | |
| SCHEMBL14830541 | 0.77 | GRIN1 (0.55) | DPP4GRIN1GRIN2BNOX4KMT2A | |
| SCHEMBL16845921 | 0.76 | DPP4 (0.51) | DPP4GRIN1GRIN2BNOX4OPRM1 | |
| SCHEMBL17781899 | 0.74 | DPP4 (0.47) | DPP4GRIN1GRIN2BNOX4KMT2A | |
| SCHEMBL10331911 | 0.73 | ALDH1A1 (0.48) | DPP4GRIN1GRIN2BNOX4ALDH1A1 | |
| SCHEMBL390872 | 0.73 | DPP4 (1.00) | DPP4OPRM1OPRK1 | |
| SCHEMBL389654 | 0.73 | DPP4 (1.00) | DPP4OPRM1OPRK1 | |
| SCHEMBL30643894 | 0.72 | GRIN1 (0.61) | DPP4GRIN1GRIN2BNOX4OPRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8324383-B2 | Methods of making polymorphs of benzoate salt of 2-[[6-[(3R)-3-amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-benzonitrile | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-12-04 | — | — | US | disclosed |
| US-20090306379-A1 | POLYMORPHS OF BENZOATE SALT OF 2-[[6-[(3r)-3-AMINO-1- PIPERIDINYL]-3,4-DIHYDRO-3- METHYL-2,4-DIOXO-1(2H)-PYRIMIDINYL]METHYL]-BENZONITRILE AND METHODS OF USE THEREFORE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-12-10 | — | — | 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-20090306379-A1 | POLYMORPHS OF BENZOATE SALT OF 2-[[6-[(3r)-3-AMINO-1- PIPERIDINYL]-3,4-DIHYDRO-3- METHYL-2,4-DIOXO-1(2H)-PYRIMIDINYL]METHYL]-BENZONITRILE AND METHODS OF USE THEREFORE | BPNT1, BRCA1, UGT1A1 | DPP4 127/4885GRIN1 131/4885GRIN2B 411/4885 |
“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.