Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | PGR | P06401 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 3/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14030828 | 0.86 | ALDH1A1 (0.52) | ALDH1A1HTTMAPK1L3MBTL1TSHR | |
| SCHEMBL3768664 | 0.84 | AR (0.44) | ALDH1A1HTTL3MBTL1TSHRPGR | |
| SCHEMBL6299006 | 0.83 | POLB (0.49) | ALDH1A1L3MBTL1HSD17B10TDP1 | |
| SCHEMBL958076 | 0.82 | HTT (0.66) | ALDH1A1HTTMAPK1L3MBTL1TSHR | |
| SCHEMBL18152 | 0.81 | NFE2L2 (0.53) | PGRKEAP1NFE2L2CA12CA1 | |
| SCHEMBL31518354 | 0.81 | TTR (0.55) | ALDH1A1HTTMAPK1L3MBTL1TSHR | |
| SCHEMBL14572638 | 0.81 | PGR (0.58) | ALDH1A1HTTL3MBTL1PGRKEAP1 | |
| SCHEMBL2837656 | 0.80 | ALDH1A1 (0.56) | ALDH1A1HTTTSHRPGRLMNA | |
| Anisole SCHEMBL3035093 | 0.79 | TAS2R14 (0.54) | ALDH1A1PGRKEAP1NFE2L2HSD17B10 | |
| SCHEMBL13791510 | 0.76 | MAPK1 (0.65) | ALDH1A1HTTMAPK1L3MBTL1NFE2L2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9580416-B2 | Inhibitors of Bruton's tyrosine kinase | PHARMACYCLICS LLC (US) | 2017-02-28 | — | — | US | disclosed |
| WO-2016004305-A2 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS LLC (US) | 2016-01-07 | — | — | WO | disclosed |
| WO-2016004272-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS LLC (US) | 2016-01-07 | — | — | WO | disclosed |
| US-20160002225-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | SCHRODINGER, LLC | 2016-01-07 | — | — | US | disclosed |
| US-20050143372-A1 | Compounds, pharmaceutical compositions and methods of use therefor | MILLENNIUM PHARMACEUTICALS, INC. | 2005-06-30 | — | — | US | disclosed |
| WO-2003037271-A2 | COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR | MILLENNIUM PHARMACEUTICALS,INC. (US) | 2003-05-08 | — | — | WO | 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-20160002225-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | BTK, LYN, LCK | ALDH1A1 4588/4885HTT 3535/4885MAPK1 791/4885 |
| US-20050143372-A1 | Compounds, pharmaceutical compositions and methods of use therefor | CCR8, CCL11, CCR5 | ALDH1A1 1071/4885HTT 3786/4885MAPK1 2732/4885 |
“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.