Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 1/20 | 0.50 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | RPA1 | P27694 | 1/20 | 0.43 |
| ▸ | ACMSD | Q8TDX5 | 3/20 | 0.42 |
| ▸ | KMO | O15229 | 2/20 | 0.41 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 2/20 | 0.41 |
| ▸ | HNF4A | P41235 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL3979148 | 0.85 | ACMSD (0.59) | ERCC1ERCC4HSD17B1HSD17B2RPA1 | |
| SCHEMBL3978045 | 0.84 | CASP1 (0.57) | ERCC1ERCC4HSD17B1HSD17B2PIK3CA | |
| SCHEMBL3979604 | 0.80 | CA12 (0.53) | ERCC1ERCC4HSD17B1HSD17B2PIK3CA | |
| SCHEMBL6153483 | 0.75 | CA1 (0.67) | MEN1USP2CA1CA2LMNA | |
| SCHEMBL11693280 | 0.74 | AKR1C2 (0.66) | ERCC1ERCC4CASP1RPA1KMO | |
| SCHEMBL5927653 | 0.72 | KIF11 (0.48) | PIK3CAACMSDDHFRHNF4AMCL1 | |
| SCHEMBL5926859 | 0.72 | ALOX5 (0.42) | ERCC1ERCC4HSD17B1HSD17B2MEN1 | |
| SCHEMBL8779130 | 0.71 | KMO (0.55) | ERCC1ERCC4HSD17B1HSD17B2CASP1 | |
| SCHEMBL16608990 | 0.71 | RPA1 (0.58) | ERCC1ERCC4PIK3CACASP1RPA1 | |
| SCHEMBL5926863 | 0.71 | CDK1 (0.44) | ERCC1ERCC4HSD17B1HSD17B2KDM4E |
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 5 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 |
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 | ERCC1 3366/4885ERCC4 1876/4885HSD17B1 136/4885 |
“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.