Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.57 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.57 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.57 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.57 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.57 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.57 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 7/20 | 0.56 |
| ▸ | RAB9A | P51151 | 7/20 | 0.56 |
| ▸ | MAPT | P10636 | 6/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3154846 | 1.00 | CYP3A4 (0.59) | CYP3A4ATMALDH1A1HSD17B10TDP1 | |
| SCHEMBL7229897 | 0.89 | ALDH1A1 (0.58) | CYP3A4ATMALDH1A1HSD17B10KDM4E | |
| SCHEMBL11774241 | 0.84 | GRIN2D (0.70) | CYP3A4ATMALDH1A1HSD17B10TDP1 | |
| SCHEMBL11774250 | 0.84 | GRIN2D (0.70) | CYP3A4ATMALDH1A1HSD17B10TDP1 | |
| SCHEMBL22198272 | 0.84 | GRIN2D (0.70) | CYP3A4ATMALDH1A1HSD17B10TDP1 | |
| SCHEMBL16476575 | 0.81 | GRIN2D (0.61) | CYP3A4ATMALDH1A1HSD17B10TDP1 | |
| SCHEMBL6842209 | 0.81 | GRIN2D (0.61) | CYP3A4ATMALDH1A1HSD17B10TDP1 | |
| SCHEMBL8241402 | 0.81 | GRIN2D (0.61) | CYP3A4ATMALDH1A1HSD17B10TDP1 | |
| SCHEMBL2006699 | 0.81 | GRIN2D (0.61) | CYP3A4ATMALDH1A1HSD17B10TDP1 | |
| SCHEMBL4449592 | 0.80 | CYP3A4 (0.54) | CYP3A4ATMALDH1A1HSD17B10TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0093610-A2 | Substituted urea herbicides | UNIROYAL, INC. (US) | 1983-11-09 | — | — | EP | disclosed |
| US-4219560-A | ANTILIPEMIC AGENTS | SANDOZ, INC. (US) | 1980-08-26 | — | — | US | disclosed |