Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17465587 | 0.91 | CYP3A4 (0.52) | ACHECYP3A4CYP2C19ALDH1A1HTT | |
| SCHEMBL24016999 | 0.91 | CYP3A4 (0.52) | ACHECYP3A4CYP2C19ALDH1A1HTT | |
| SCHEMBL24017007 | 0.91 | CYP3A4 (0.52) | ACHECYP3A4CYP2C19ALDH1A1HTT | |
| SCHEMBL24017005 | 0.89 | CYP3A4 (0.54) | ACHECYP3A4CYP2C19NFE2L2LMNA | |
| SCHEMBL13075238 | 0.80 | CYP3A4 (0.41) | ACHECYP3A4CYP2C19LMNAALDH1A1 | |
| SCHEMBL18925486 | 0.79 | ACHE (0.52) | ACHENFE2L2LMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL24017143 | 0.78 | ALDH1A1 (0.56) | ACHECYP3A4CYP2C19NFE2L2LMNA | |
| Dimethylamine SCHEMBL23675374 | 0.78 | ACHE (0.81) | ACHECYP3A4CYP2C19NFE2L2LMNA | |
| SCHEMBL28077967 | 0.77 | AOC3 (0.39) | CYP3A4CYP2C19ALDH1A1HTTHDAC3 | |
| SCHEMBL20868149 | 0.77 | ACHE (0.68) | ACHENFE2L2LMNAALDH1A1SMN1; SMN2 |
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-9862725-B2 | Process for preparing chiral dipeptidyl peptidase-IV inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-01-09 | — | — | US | disclosed |
| US-20170158701-A1 | PROCESS FOR PREPARING CHIRAL DIPEPTIDYL PEPTIDASE-IV INHIBITORS | MERCK SHARP & DOHME LLC | 2017-06-08 | — | — | US | disclosed |
| US-20150272956-A1 | SUBSTITUTED XANTHINE DERIVATIVES | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2015-10-01 | — | — | 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-20150272956-A1 | SUBSTITUTED XANTHINE DERIVATIVES | XDH, HPRT1, CXCR3 | ACHE 945/4885CYP3A4 488/4885CYP2C19 892/4885 |
| US-20170158701-A1 | PROCESS FOR PREPARING CHIRAL DIPEPTIDYL PEPTIDASE-IV INHIBITORS | DPP4, PEPD, DPP9 | ACHE 2067/4885CYP3A4 149/4885CYP2C19 247/4885 |
“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.