Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | DTYMK | P23919 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10180003 | 0.80 | SMN1; SMN2 (0.42) | PKMALDH1A1TDP1HTTMEN1 | |
| SCHEMBL10179802 | 0.76 | CRHBP (0.41) | PKMALDH1A1CYP1A2CYP2C19HTT | |
| SCHEMBL10179559 | 0.76 | ALDH1A1 (0.46) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL310877 | 0.76 | TSHR (0.51) | PKMALDH1A1TDP1CYP3A4ALOX15 | |
| SCHEMBL11799475 | 0.73 | CASP6 (0.48) | PKMALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL23499792 | 0.73 | CA1 (0.49) | ALDH1A1CYP1A2TDP1CYP3A4ALOX15 | |
| SCHEMBL1354508 | 0.72 | PKM (0.50) | PKMALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11310440 | 0.72 | PKM (0.50) | PKMALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11316296 | 0.72 | PKM (0.50) | PKMALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2896179 | 0.71 | DTYMK (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C19TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102574814-B | The preparation method of pyrimidyl acetonitrile derivative and synthetic intermediate thereof | IHARA CHEMICAL INDUSTRY CO.,LTD. (JP) | 2015-09-16 | — | — | CN | disclosed |
| EP-2474536-B1 | PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF | IHARA CHEMICAL IND CO (JP) | 2014-06-25 | — | — | EP | disclosed |
| US-20120178931-A1 | PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF | IHARA CHEMICAL INDUSTRY CO., LTD (JP) | 2012-07-12 | — | — | US | disclosed |
| EP-2474536-A1 | PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF | Ihara Chemical Industry Co., Ltd. (JP) | 2012-07-11 | — | — | EP | 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-20120178931-A1 | PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF | DPYD, UMPS, PNP | PKM 549/4885ALDH1A1 238/4885CYP1A2 58/4885 |
“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.