Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALPL | P05186 | 2/20 | 0.34 |
| ▸ | ALPI | P09923 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29723070 | 0.87 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1CYP3A4CYP2D6TSHR | |
| SCHEMBL15241360 | 0.86 | CYP2C19 (0.50) | HSP90AA1HSP90AB1CYP3A4CYP2D6TSHR | |
| SCHEMBL24027369 | 0.85 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1CYP3A4CYP2D6TSHR | |
| SCHEMBL10264859 | 0.79 | NOS2 (0.48) | KDM4EALDH1A1KMT2ANOS3NOS1 | |
| SCHEMBL18068097 | 0.78 | CYP2C19 (0.58) | HSP90AA1HSP90AB1CYP3A4CYP2D6TSHR | |
| SCHEMBL15723315 | 0.78 | CYP3A4 (0.44) | HSP90AA1HSP90AB1CYP3A4CYP2D6TSHR | |
| SCHEMBL19699451 | 0.78 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1CYP3A4CYP2D6TSHR | |
| SCHEMBL22767490 | 0.77 | CYP2C19 (0.43) | HSP90AA1HSP90AB1CYP3A4CYP2D6TSHR | |
| SCHEMBL20738336 | 0.74 | GAA (0.43) | HSP90AA1HSP90AB1CYP3A4CYP2D6TSHR | |
| SCHEMBL20642311 | 0.74 | CYP3A4 (0.41) | HSP90AA1HSP90AB1CYP3A4CYP2D6TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210353606-A1 | PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2021-11-18 | — | — | US | disclosed |
| US-20200039989-A1 | SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA | 2020-02-06 | — | — | 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 (2 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-20200039989-A1 | SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF | CLK2, CLK1, CLK3 | HSP90AA1 2552/4885HSP90AB1 2020/4885CYP3A4 4000/4885 |
| US-20210353606-A1 | PqsR INVERSE AGONISTS | QRFPR, P2RY11, QARS1 | HSP90AA1 4381/4885HSP90AB1 4125/4885CYP3A4 3080/4885 |
“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.