Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.48 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.48 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.48 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.48 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | GSK3A | P49840 | 2/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14627221 | 1.00 | ALDH1A1 (0.62) | ALDH1A1KDM4EALOX15HSD17B10TP53 | |
| SCHEMBL4454927 | 0.85 | ALDH1A1 (0.62) | ALDH1A1KDM4EALOX15HSD17B10TP53 | |
| SCHEMBL4454930 | 0.85 | ALDH1A1 (0.62) | ALDH1A1KDM4EALOX15HSD17B10TP53 | |
| SCHEMBL16704292 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KDM4EALOX15HSD17B10TP53 | |
| SCHEMBL3031855 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KDM4EALOX15HSD17B10TP53 | |
| SCHEMBL11558188 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KDM4EALOX15HSD17B10TP53 | |
| SCHEMBL11558191 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KDM4EALOX15HSD17B10TP53 | |
| SCHEMBL16168568 | 0.79 | ALDH1A1 (0.55) | ALDH1A1KDM4EALOX15HSD17B10TP53 | |
| SCHEMBL4449591 | 0.78 | CYP3A4 (0.54) | ALDH1A1KDM4EALOX15HSD17B10TP53 | |
| SCHEMBL4449592 | 0.78 | CYP3A4 (0.54) | ALDH1A1KDM4EALOX15HSD17B10TP53 |
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-20160367685-A1 | DUPA-INDENOISOQUINOLINE CONJUGATES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-12-22 | — | — | US | disclosed |
| US-20070015751-A1 | Nitro and amino substituted heterocycles as topoisomerase I targeting agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2007-01-18 | — | — | US | disclosed |
| US-6992088-B2 | Nitro and amino substituted heterocycles as topoisomerase I targeting agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2006-01-31 | — | — | US | disclosed |
| US-20040110782-A1 | Nitro and amino substituted heterocycles as topoisomerase I targeting agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2004-06-10 | — | — | US | disclosed |
| WO-2004014862-A1 | NITRO AND AMINO SUBSTITUTED HETEROCYCLES AS TOPOISOMERASE I TARGETING AGENTS | RUTGERS, THE STATE UNIVERSITY (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 (3 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-20070015751-A1 | Nitro and amino substituted heterocycles as topoisomerase I targeting agents | TOP1, TOP2A, TOP2B | ALDH1A1 1232/4885KDM4E 1439/4885ALOX15 3718/4885 |
| US-20040110782-A1 | Nitro and amino substituted heterocycles as topoisomerase I targeting agents | TOP1, TOP2A, TOP2B | ALDH1A1 902/4885KDM4E 1481/4885ALOX15 3370/4885 |
| US-20160367685-A1 | DUPA-INDENOISOQUINOLINE CONJUGATES | PDS5B, KLK3, PDS5A | ALDH1A1 205/4885KDM4E 2688/4885ALOX15 4269/4885 |
“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.