Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.53 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.53 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.53 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.53 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.53 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4449592 | 1.00 | CYP3A4 (0.54) | CYP3A4ATMALDH1A1KDM4EALOX15 | |
| SCHEMBL3031855 | 0.87 | ALDH1A1 (0.58) | CYP3A4ATMALDH1A1KDM4EALOX15 | |
| SCHEMBL16704292 | 0.87 | ALDH1A1 (0.58) | CYP3A4ATMALDH1A1KDM4EALOX15 | |
| SCHEMBL4454927 | 0.84 | ALDH1A1 (0.62) | CYP3A4ATMALDH1A1KDM4EALOX15 | |
| SCHEMBL4454930 | 0.84 | ALDH1A1 (0.62) | CYP3A4ATMALDH1A1KDM4EALOX15 | |
| SCHEMBL3154846 | 0.80 | CYP3A4 (0.59) | CYP3A4ATMALDH1A1KDM4EALOX15 | |
| SCHEMBL4447859 | 0.80 | CYP3A4 (0.59) | CYP3A4ATMALDH1A1KDM4EALOX15 | |
| SCHEMBL7580330 | 0.80 | ALDH1A1 (0.51) | CYP3A4ATMALDH1A1KDM4EALOX15 | |
| SCHEMBL7575423 | 0.80 | GRIN2D (0.50) | CYP3A4ATMALDH1A1KDM4EALOX15 | |
| SCHEMBL7575421 | 0.80 | GRIN2D (0.50) | CYP3A4ATMALDH1A1KDM4EALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2050452-A1 | indenoisoquinolines as topoisomerase inhibitors I useful as antineoplastic agents | Purdue Research Foundation (US) | 2009-04-22 | — | — | EP | disclosed |
| US-6509344-B1 | A method for treating a patient having cancer, said method comprising the step of administering to the patient an effective amount of a compound according to claim 1, whereupon said patient is treated for cancer, and wherein the cancer is | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2003-01-21 | — | — | US | disclosed |
| EP-1123099-A4 | NOVEL INDENOISOQUINOLINES AS ANTINEOPLASTIC AGENTS | PURDUE RESEARCH FOUNDATION (US) | 2002-08-21 | — | — | EP | disclosed |
| EP-1123099-A1 | NOVEL INDENOISOQUINOLINES AS ANTINEOPLASTIC AGENTS | PURDUE RESEARCH FOUNDATION (US) | 2001-08-16 | — | — | EP | disclosed |
| WO-2000021537-A1 | NOVEL INDENOISOQUINOLINES AS ANTINEOPLASTIC AGENTS | PURDUE RESEARCH FOUNDATION (US) | 2000-04-20 | — | — | WO | disclosed |