Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23597829 | 0.87 | ALDH1A1 (0.39) | ALDH1A1KMT2ARECQLMAPK1MEN1 | |
| SCHEMBL22023973 | 0.81 | KMT2A (0.40) | ALDH1A1KMT2ARECQLMAPK1MEN1 | |
| SCHEMBL23502468 | 0.74 | TLR7 (0.39) | ALDH1A1L3MBTL1MAPTSMN1; SMN2 | |
| SCHEMBL21577654 | 0.71 | CNR2 (0.35) | ALDH1A1MAPK1 | |
| SCHEMBL20047581 | 0.70 | TLR8 (0.32) | — | |
| SCHEMBL25101222 | 0.69 | TSHR (0.44) | KMT2AMAPK1MEN1TDP1GAA | |
| SCHEMBL21549386 | 0.68 | SLC6A2 (0.38) | ALDH1A1TDP1 | |
| SCHEMBL21339358 | 0.68 | SMN1; SMN2 (0.35) | KMT2AMEN1GAASMN1; SMN2 | |
| SCHEMBL20047631 | 0.68 | TLR7 (0.36) | ALDH1A1L3MBTL1MAPTSMN1; SMN2 | |
| SCHEMBL25101234 | 0.68 | TLR8 (0.40) | ALDH1A1KMT2AMEN1POLBMAPT |
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-20190241523-A1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS | SCHRÖDINGER, INC. | 2019-08-08 | — | — | 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-20190241523-A1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS | PDK1, PDK2, PDK3 | ALDH1A1 1326/4885KMT2A 751/4885RECQL 3117/4885 |
“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.