Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29501368 | 1.00 | HRH3 (0.58) | HRH3MAPK1MALT1CYP1A2ALDH1A1 | |
| SCHEMBL28188382 | 0.90 | HRH3 (0.49) | HRH3MAPK1MALT1HRH4IRAK4 | |
| SCHEMBL28188383 | 0.90 | HRH3 (0.49) | HRH3MAPK1MALT1HRH4IRAK4 | |
| SCHEMBL1671847 | 0.87 | MALT1 (0.58) | HRH3MALT1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL23304369 | 0.84 | MALT1 (0.52) | HRH3MALT1ALDH1A1MEN1KMT2A | |
| SCHEMBL29779677 | 0.84 | S1PR1 (0.52) | MALT1ALDH1A1MEN1KMT2AHRH4 | |
| SCHEMBL7764412 | 0.82 | S1PR1 (0.55) | MALT1ALDH1A1MEN1KMT2AS1PR1 | |
| SCHEMBL2051027 | 0.81 | PRKCZ (0.50) | ROCK2ROCK1CDC42BPBIRAK4AURKA | |
| SCHEMBL25426946 | 0.79 | MAPK1 (0.51) | MAPK1MALT1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL14520680 | 0.79 | MALT1 (0.52) | HRH3MALT1CYP1A2ALDH1A1HSD17B10 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2861588-A2 | NOVEL THERAPEUTICS FOR BRAIN CANCER | The Regents of The University of California (US) | 2015-04-22 | — | — | EP | claimed |
| WO-2013188813-A2 | NOVEL THERAPEUTICS FOR BRAIN CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2013-12-19 | — | — | WO | claimed |
| EP-2043655-A2 | PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS | Astex Therapeutics Limited (GB) | 2009-04-08 | — | — | EP | disclosed |
| WO-2007125321-A2 | PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2007-11-08 | — | — | WO | disclosed |
| US-6300333-B1 | COMPOUNDS AS FUNGICIDES, MITICIDES OR INSECTICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 2001-10-09 | — | — | US | disclosed |
| EP-1068197-A1 | SUBSTITUTED PIPERIDINES, METHOD FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES AND FUNGICIDES | Aventis CropScience GmbH (DE) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999051589-A1 | SUBSTITUTED PIPERIDINES, METHOD FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES AND FUNGICIDES | AVENTIS CROPSCIENCE GMBH (DE) | 1999-10-14 | — | — | WO | disclosed |