Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.72 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.65 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | DDIT3 | P35638 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12188944 | 0.91 | ALDH1A1 (0.64) | ALDH1A1LMNAL3MBTL1HSD11B1THRB | |
| SCHEMBL12188938 | 0.86 | ALDH1A1 (0.70) | ALDH1A1LMNAL3MBTL1HSD11B1THRB | |
| SCHEMBL15215001 | 0.83 | ALDH1A1 (0.66) | ALDH1A1LMNAL3MBTL1HSD11B1THRB | |
| SCHEMBL20885033 | 0.82 | ALDH1A1 (0.51) | ALDH1A1LMNAL3MBTL1HSD11B1MEN1 | |
| SCHEMBL12646351 | 0.82 | TP53 (0.58) | ALDH1A1LMNAL3MBTL1HSD11B1KCNH2 | |
| SCHEMBL4940237 | 0.82 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD11B1MEN1KMT2A | |
| SCHEMBL4480464 | 0.82 | ALDH1A1 (0.63) | ALDH1A1LMNAL3MBTL1HSD11B1THRB | |
| SCHEMBL12646347 | 0.82 | USP2 (0.68) | ALDH1A1LMNAL3MBTL1HSD11B1THRB | |
| SCHEMBL12189227 | 0.80 | USP2 (0.71) | ALDH1A1LMNAL3MBTL1HSD11B1THRB | |
| SCHEMBL12793343 | 0.80 | USP2 (0.71) | ALDH1A1LMNAHSD11B1MEN1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3440084-B1 | PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING PI3K-MEDIATED DISORDERS | DANA FARBER CANCER INST INC (US) | 2022-12-21 | — | — | EP | disclosed |
| US-20120322798-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-12-20 | — | — | US | disclosed |
| US-20120232059-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-09-13 | — | — | US | disclosed |
| US-7956052-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-07 | — | — | US | disclosed |
| US-7741321-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-22 | — | — | US | disclosed |
| US-20080113985-A1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2008-05-15 | — | — | 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 (3 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-20120322798-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | ALDH1A1 1991/4885LMNA 3485/4885L3MBTL1 3323/4885 |
| US-20080113985-A1 | Modulators of ATP-binding cassette transporters | CFTR, ABCB1, ABCC2 | ALDH1A1 1786/4885LMNA 3535/4885L3MBTL1 3641/4885 |
| US-20120232059-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | ALDH1A1 1786/4885LMNA 3535/4885L3MBTL1 3641/4885 |
“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.