Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.43 |
| ▸ | LCK | P06239 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | TOP2A | P11388 | 1/20 | 0.41 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15858093 | 0.91 | CYP17A1 (0.47) | CYP17A1LCKCA12CA1CA9 | |
| SCHEMBL6627242 | 0.91 | CYP17A1 (0.47) | CYP17A1LCKCA12CA1CA9 | |
| SCHEMBL4752155 | 0.88 | TOP2A (0.46) | CYP17A1LCKCA12CA1CA9 | |
| SCHEMBL7473050 | 0.87 | CYP17A1 (0.42) | CYP17A1LCKCA12CA1CA9 | |
| SCHEMBL7477384 | 0.85 | CA12 (0.48) | CYP17A1LCKCA12CA1CA9 | |
| SCHEMBL18411746 | 0.85 | CYP17A1 (0.43) | CYP17A1LCKCA12CA1CA9 | |
| SCHEMBL15077304 | 0.84 | CYP17A1 (0.40) | CYP17A1LCKCA12CA1CA9 | |
| SCHEMBL25751479 | 0.84 | CYP4F2 (0.44) | CYP17A1LCKCA12CA1CA9 | |
| SCHEMBL13623134 | 0.84 | CYP17A1 (0.42) | CYP17A1LCKCA12CA1CA9 | |
| SCHEMBL89282 | 0.82 | KMT2A (0.45) | CYP17A1LCKTOP2ATOP2BMAPK14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6958340-B2 | such as N-[3-methyl-5-(trifluoromethyl)phenyl]-4-(2-phenyl-1H-imidazol-1-yl)pyrimidin-2-amine; treating breast cancer; use in combination with estrogen receptor modulators such as tamoxifen and raloxifene | MERCK & CO., INC. (US) | 2005-10-25 | — | — | US | disclosed |
| US-20040220201-A1 | Tyrosine kinase inhibitors | MERCK & CO., INC. | 2004-11-04 | — | — | US | disclosed |
| WO-2003011836-A1 | TYROSINE KINASE INHIBITORS | MERCK & CO., INC. (US) | 2003-02-13 | — | — | 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 (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-20040220201-A1 | Tyrosine kinase inhibitors | ERBB2, TYRO3, TIE1 | CYP17A1 2839/4885LCK 16/4885CA12 4613/4885 |
“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.