Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 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 | |
|---|---|---|---|---|
| SCHEMBL6728354 | 0.74 | CYP19A1 (0.52) | CYP19A1BCHENPC1RAB9AALDH1A1 | |
| SCHEMBL9530751 | 0.74 | CYP19A1 (0.52) | CYP19A1BCHENPC1RAB9AALDH1A1 | |
| SCHEMBL5326554 | 0.74 | CYP19A1 (0.52) | CYP19A1BCHENPC1RAB9AALDH1A2 | |
| SCHEMBL28316960 | 0.74 | CYP19A1 (0.52) | CYP19A1BCHENPC1RAB9AALDH1A2 | |
| SCHEMBL2687071 | 0.74 | KMT2A (0.52) | CYP19A1BCHENPC1RAB9ALMNA | |
| SCHEMBL16754127 | 0.74 | CYP19A1 (0.52) | CYP19A1BCHENPC1RAB9AALDH1A2 | |
| SCHEMBL1119554 | 0.72 | PTGS2 (0.66) | CYP19A1BCHEPTGS2CA12CA1 | |
| SCHEMBL16206235 | 0.72 | CYP19A1 (0.70) | CYP19A1NPC1RAB9APTGS2EPHB4 | |
| Water SCHEMBL27717809 | 0.72 | CYP19A1 (0.50) | CYP19A1BCHENPC1RAB9AALDH1A1 | |
| Bromide SCHEMBL6256547 | 0.71 | PTGS2 (0.64) | CYP19A1BCHEPTGS2CA12CA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9187454-B2 | Inhibitors of kinases and cancer stem cells, and methods of preparation and use thereof | BOSTON BIOMEDICAL, INC. (US) | 2015-11-17 | — | — | US | disclosed |
| US-9187454-B2 | Inhibitors of kinases and cancer stem cells, and methods of preparation and use thereof | BOSTON BIOMEDICAL, INC. (US) | 2015-11-17 | — | — | US | disclosed |
| US-20140275033-A1 | INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF | BOSTON BIOMEDICAL, INC. | 2014-09-18 | — | — | US | disclosed |
| US-20140275033-A1 | INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF | BOSTON BIOMEDICAL, INC. | 2014-09-18 | — | — | 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-20140275033-A1 | INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF | MAP3K1, MAP3K6, MAP3K9 | CYP19A1 3639/4885BCHE 3793/4885NPC1 3118/4885 |
“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.