Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 4/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3119352 | 0.91 | CA12 (0.45) | CA12CA1CA9CYP17A1HDAC3 | |
| SCHEMBL7477384 | 0.85 | CA12 (0.48) | CA12CA1CA9CYP17A1HDAC3 | |
| SCHEMBL29953301 | 0.84 | CA12 (0.43) | CA12CA1CA9CYP17A1HDAC3 | |
| SCHEMBL12527219 | 0.84 | CA12 (0.43) | CA12CA1CA9CYP17A1HDAC3 | |
| SCHEMBL13623138 | 0.84 | NPC1 (0.43) | CA12CA1CA9CYP17A1HDAC3 | |
| SCHEMBL29950942 | 0.84 | CA12 (0.40) | CA12CA1CA9CYP17A1HDAC3 | |
| SCHEMBL7464838 | 0.82 | KMT2A (0.42) | CA12CA1CA9CYP17A1HDAC3 | |
| SCHEMBL29905089 | 0.81 | RXFP1 (0.46) | CA12CA1CA9CYP17A1HDAC3 | |
| SCHEMBL26088962 | 0.81 | RXFP1 (0.46) | CA12CA1CA9CYP17A1HDAC3 | |
| SCHEMBL22081902 | 0.80 | EGLN2 (0.46) | CA12CA1CA9CYP17A1HDAC3 |
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 | CA12 4613/4885CA1 4738/4885CA9 3304/4885 |
“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.