Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | COMT | P21964 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10181409 | 0.86 | SMN1; SMN2 (0.49) | TSHRTDP1L3MBTL1MAPK1ALDH1A1 | |
| SCHEMBL31668174 | 0.79 | ESR1 (0.66) | ESR1TSHRTDP1L3MBTL1ATM | |
| SCHEMBL10180406 | 0.79 | PDGFRB (0.43) | COMTALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL11740048 | 0.75 | ESR1 (0.63) | ESR1TSHRTDP1L3MBTL1ATM | |
| SCHEMBL4627003 | 0.75 | ESR1 (0.63) | ESR1TSHRTDP1L3MBTL1ATM | |
| SCHEMBL10380121 | 0.74 | ESR1 (0.58) | ESR1TSHRTDP1L3MBTL1COMT | |
| SCHEMBL17707766 | 0.73 | ALDH1A1 (0.55) | TSHRTDP1L3MBTL1COMTCYP3A4 | |
| SCHEMBL11132937 | 0.73 | ALDH1A1 (0.55) | ESR1TSHRCYP3A4MAPK1TP53 | |
| SCHEMBL11647838 | 0.73 | ESR1 (0.53) | ESR1TSHRTDP1L3MBTL1COMT | |
| SCHEMBL232582 | 0.73 | TSHR (0.65) | ESR1TSHRTDP1L3MBTL1ATM |
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 | ESR1 4040/4885TSHR 3409/4885TDP1 1191/4885 |
“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.