Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.67 |
| ▸ | ATM | Q13315 | 1/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | MTOR | P42345 | 1/20 | 0.57 |
| ▸ | VCP | P55072 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.53 |
| ▸ | AR | P10275 | 1/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | PDE4A | P27815 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 1/20 | 0.53 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7229899 | 0.88 | KDM4E (0.59) | CYP19A1CYP3A4ATMHSD17B10ALDH1A1 | |
| SCHEMBL19472000 | 0.87 | CYP19A1 (0.78) | CYP19A1CYP3A4ATMHSD17B10ALDH1A1 | |
| SCHEMBL19500874 | 0.87 | CYP19A1 (0.78) | CYP19A1CYP3A4ATMHSD17B10ALDH1A1 | |
| SCHEMBL11296637 | 0.83 | ALDH1A1 (0.64) | CYP19A1CYP3A4ATMHSD17B10ALDH1A1 | |
| SCHEMBL19092907 | 0.81 | CYP19A1 (1.00) | CYP19A1CYP3A4ATMHSD17B10ALDH1A1 | |
| SCHEMBL21933260 | 0.81 | CYP19A1 (1.00) | CYP19A1CYP3A4ATMHSD17B10ALDH1A1 | |
| Isosafrole SCHEMBL345862 | 0.80 | CYP3A4 (1.00) | CYP19A1CYP3A4ATMHSD17B10ALDH1A1 | |
| SCHEMBL18023892 | 0.80 | CYP3A4 (0.67) | CYP19A1CYP3A4ATMHSD17B10ALDH1A1 | |
| Isosafrole SCHEMBL14764127 | 0.80 | CYP3A4 (1.00) | CYP19A1CYP3A4ATMHSD17B10ALDH1A1 | |
| Isosafrole SCHEMBL7075676 | 0.80 | CYP3A4 (1.00) | CYP19A1CYP3A4ATMHSD17B10ALDH1A1 |
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 4 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 |
| 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 |