Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 5/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 5/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 5/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 5/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | HPD | P32754 | 2/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10181382 | 0.88 | TSHR (0.51) | ALDH1A1TSHRMAPTMAPK1GRIN2D | |
| SCHEMBL10181446 | 0.85 | ALDH1A1 (0.49) | ALDH1A1TSHRMAPTGRIN2DGRIN3B | |
| SCHEMBL10179645 | 0.84 | TSHR (0.58) | ALDH1A1TSHRMAPTMAPK1GRIN2D | |
| SCHEMBL10181559 | 0.80 | TSHR (0.53) | ALDH1A1TSHRMAPTMAPK1GRIN2D | |
| SCHEMBL5131993 | 0.75 | ALDH1A1 (0.64) | ALDH1A1TSHRMAPTMAPK1GRIN2D | |
| SCHEMBL10179648 | 0.75 | ALDH1A1 (0.64) | ALDH1A1TSHRMAPK1GRIN2DGRIN3B | |
| SCHEMBL29005669 | 0.75 | ALDH1A1 (0.48) | ALDH1A1TSHRMAPTGRIN2DGRIN3B | |
| SCHEMBL27928262 | 0.74 | ALDH1A1 (0.33) | ALDH1A1TSHRMAPTPOLBLMNA | |
| SCHEMBL954217 | 0.73 | ALDH1A1 (1.00) | ALDH1A1TSHRMAPTMAPK1GRIN2D | |
| SCHEMBL10180308 | 0.72 | GRIN2D (0.35) | ALDH1A1MAPTGRIN2DGRIN3BGRIN1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 | ALDH1A1 238/4885TSHR 3409/4885MAPT 4300/4885 |
“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.