Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | USP2 | O75604 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.36 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20249248 | 0.92 | TSHR (0.41) | ALDH1A1CYP2D6CYP3A4CYP1A2USP2 | |
| SCHEMBL20249243 | 0.86 | CDK4 (0.40) | ALDH1A1CYP2D6CYP3A4CYP1A2USP2 | |
| Hydrochloric Acid SCHEMBL30327720 | 0.86 | CYP3A4 (0.44) | ALDH1A1CYP2D6CYP3A4CYP1A2USP2 | |
| SCHEMBL20255188 | 0.85 | CHRNB2 (0.43) | ALDH1A1CYP2D6CYP3A4CYP1A2USP2 | |
| SCHEMBL20249239 | 0.85 | CYP3A4 (0.33) | ALDH1A1CYP2D6CYP3A4CYP1A2USP2 | |
| SCHEMBL20249244 | 0.84 | TSHR (0.50) | ALDH1A1CYP2D6CYP3A4CYP1A2USP2 | |
| SCHEMBL20255362 | 0.80 | ALDH1A1 (0.48) | ALDH1A1CYP2D6CYP3A4CYP1A2USP2 | |
| SCHEMBL20249240 | 0.79 | CHRNB2 (0.46) | ROCK2ROCK1CDC42BPACDC42BPBCHRNB2 | |
| SCHEMBL20249245 | 0.77 | CHRNB2 (0.51) | ROCK1CDC42BPBCHRNB2CHRNA4 | |
| SCHEMBL20249237 | 0.76 | ACVR1 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180161329-A1 | PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | TEIJIN PHARMA LIMITED (JP) | 2018-06-14 | — | — | 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-20180161329-A1 | PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | CDK4, CDK6, CDK16 | ALDH1A1 944/4885CYP2D6 70/4885CYP3A4 539/4885 |
“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.