Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1019040 | 0.88 | P2RX3 (0.41) | CYP3A4TSHRCYP1A2ADRA2ACYP2D6 | |
| SCHEMBL31425472 | 0.88 | P2RX3 (0.41) | CYP3A4TSHRCYP1A2ADRA2ACYP2D6 | |
| SCHEMBL14381333 | 0.86 | P2RX3 (0.43) | CYP3A4TSHRCYP1A2ADRA2ACYP2D6 | |
| SCHEMBL1018574 | 0.86 | CHEK1 (0.41) | CYP3A4TSHRCYP1A2ADRA2ACYP2D6 | |
| SCHEMBL14380932 | 0.84 | LMNA (0.34) | CYP3A4TSHRCYP1A2ADRA2ACYP2D6 | |
| SCHEMBL4999364 | 0.84 | CTSD (0.39) | CYP3A4TSHRCYP1A2SMN1; SMN2LMNA | |
| SCHEMBL23202755 | 0.83 | CYP3A4 (0.67) | CYP3A4TSHRCA9SMN1; SMN2LMNA | |
| SCHEMBL30350318 | 0.83 | CYP3A4 (0.67) | CYP3A4TSHRCA9SMN1; SMN2LMNA | |
| SCHEMBL10268433 | 0.81 | CYP3A4 (0.56) | CYP3A4TSHRCYP1A2ADRA2ACYP2D6 | |
| SCHEMBL19364180 | 0.80 | CYP3A4 (0.58) | CYP3A4TSHRCA9SMN1; SMN2LMNA |
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-20130116431-A1 | Novel HSP90 Inhibitor | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2013-05-09 | — | — | 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-20130116431-A1 | Novel HSP90 Inhibitor | HSP90AB1, HSP90AB2P, HSP90B1 | CYP3A4 2042/4885TSHR 3454/4885CYP1A2 1196/4885 |
“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.