Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26522856 | 1.00 | PDK1 (0.48) | PDK1SMN1; SMN2POLBALDH1A1NPC1 | |
| SCHEMBL21561651 | 1.00 | PDK1 (0.48) | PDK1SMN1; SMN2POLBALDH1A1NPC1 | |
| SCHEMBL21561662 | 1.00 | PDK1 (0.48) | PDK1SMN1; SMN2POLBALDH1A1NPC1 | |
| SCHEMBL9700171 | 0.79 | SMN1; SMN2 (0.46) | PDK1SMN1; SMN2POLBALDH1A1NPC1 | |
| SCHEMBL21561707 | 0.73 | POLB (0.31) | POLBALDH1A1NPC1NPSR1HSD17B10 | |
| SCHEMBL20204848 | 0.73 | SMN1; SMN2 (0.32) | SMN1; SMN2 | |
| SCHEMBL20671801 | 0.73 | SMN1; SMN2 (0.52) | PDK1SMN1; SMN2POLBALDH1A1NPC1 | |
| SCHEMBL1196644 | 0.73 | SMN1; SMN2 (0.52) | PDK1SMN1; SMN2POLBALDH1A1NPC1 | |
| SCHEMBL4000982 | 0.73 | SMN1; SMN2 (0.52) | PDK1SMN1; SMN2POLBALDH1A1NPC1 | |
| SCHEMBL3210127 | 0.73 | SMN1; SMN2 (0.52) | PDK1SMN1; SMN2POLBALDH1A1NPC1 |
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-11789025-B2 | Reagents and methods for analysis of proteins and metabolites targeted by covalent probes | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2023-10-17 | — | — | 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-11789025-B2 | Reagents and methods for analysis of proteins and metabolites targeted by covalent probes | PTMS, SRMS, HSP90B1 | PDK1 2382/4885SMN1; SMN2 3987/4885POLB 3536/4885 |
“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.