Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.57 |
| ▸ | CHUK | O15111 | 2/20 | 0.55 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.50 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.49 |
| ▸ | CLK1 | P49759 | 2/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.48 |
| ▸ | ICMT | O60725 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | RPA1 | P27694 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3979148 | 0.85 | ACMSD (0.59) | ERCC1ERCC4HSD17B1HSD17B2MEN1 | |
| SCHEMBL3978041 | 0.84 | ERCC1 (0.50) | CASP1ERCC1ERCC4HSD17B1HSD17B2 | |
| SCHEMBL5302317 | 0.83 | CHUK (0.67) | CASP1CHUKCLK1DYRK1AIKBKB | |
| SCHEMBL3979604 | 0.80 | CA12 (0.53) | ERCC1ERCC4HSD17B1HSD17B2PIK3CA | |
| SCHEMBL3691427 | 0.80 | CHUK (0.67) | CHUKCLK1DYRK1AIKBKBMEN1 | |
| SCHEMBL28260233 | 0.78 | CHUK (0.53) | CHUKHSD17B1HSD17B2CLK1DYRK1A | |
| SCHEMBL8297932 | 0.78 | MAP4K4 (0.54) | CASP1ERCC1ERCC4HSD17B1HSD17B2 | |
| SCHEMBL27731122 | 0.77 | CASP1 (0.57) | CASP1ICMTMEN1ALDH1A1KMT2A | |
| SCHEMBL28260235 | 0.77 | CHUK (0.51) | CASP1CHUKCLK1DYRK1A | |
| SCHEMBL5273765 | 0.76 | CASP1 (0.59) | CASP1MEN1ALDH1A1KMT2APTGS1 |
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-7501538-B2 | Aryl and heteroaryl compounds, compositions and methods of use | TRANSTECH PHARMA, INC. (US) | 2009-03-10 | — | — | US | claimed |
| US-20050049310-A1 | Aryl and heteroaryl compounds, compositions and methods of use | VTVX HOLDINGS I LLC | 2005-03-03 | — | — | US | claimed |
| WO-2005014532-A1 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-02-17 | — | — | WO | claimed |
| US-20050049310-A1 | Aryl and heteroaryl compounds, compositions and methods of use | VTVX HOLDINGS I LLC | 2005-03-03 | — | — | US | disclosed |
| WO-2005014532-A1 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-02-17 | — | — | WO | disclosed |
| WO-2004014844-A2 | ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION | TRANSTECH PHARMA, INC. (US) | 2004-02-19 | — | — | 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-20050049310-A1 | Aryl and heteroaryl compounds, compositions and methods of use | EPOR, HBG2, CYP2F1 | CASP1 4170/4885CHUK 521/4885ERCC1 3366/4885 |
“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.