Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | FYN | P06241 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | AHR | P35869 | 2/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27278968 | 0.84 | CYP1A2 (0.48) | HPRT1CYP1A2FYNACHEAHR | |
| SCHEMBL27407869 | 0.84 | HPRT1 (0.52) | HPRT1CYP1A2NQO2MAPTLMNA | |
| Methane SCHEMBL27684938 | 0.82 | HPRT1 (0.50) | HPRT1CYP1A2NQO2MAPTLMNA | |
| SCHEMBL27456883 | 0.80 | HPRT1 (0.44) | HPRT1CYP1A2FYNACHEAHR | |
| SCHEMBL3345624 | 0.79 | CYP1A2 (0.74) | HPRT1CYP1A2FYNACHEAHR | |
| SCHEMBL27264740 | 0.79 | ALDH1A1 (0.48) | HPRT1CYP1A2FYNACHEAHR | |
| SCHEMBL17841962 | 0.77 | CYP1A2 (0.60) | HPRT1CYP1A2FYNACHEAHR | |
| SCHEMBL2849271 | 0.77 | CYP1A2 (0.60) | HPRT1CYP1A2FYNACHEAHR | |
| SCHEMBL27289927 | 0.77 | HPRT1 (0.64) | HPRT1CYP1A2FYNACHEAHR | |
| SCHEMBL12473664 | 0.77 | HPRT1 (0.64) | HPRT1CYP1A2FYNACHEAHR |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102548984-B | The inhibitor of PI3 kinases and/or MTOR | AMGEN INC. (US) | 2015-11-25 | — | — | CN | disclosed |
| CN-102105473-B | Tricyclic nitrogen containing compounds and their use as antibacterials | GLAXO GROUP LTD | 2013-05-08 | — | — | CN | disclosed |
| CN-102892755-A | Therapeutic compounds | UNIV WAYNE STATE | 2013-01-23 | — | — | CN | disclosed |
| CN-102548984-A | Inhibitors of PI3 kinase and / or MTOR | AMGEN INC | 2012-07-04 | — | — | CN | disclosed |
| CN-101628888-B | Inhibitors of cytosolic phospholipase a2 | WYETH CORP | 2012-05-23 | — | — | CN | disclosed |
| CN-102105473-A | Tricyclic nitrogen containing compounds and their use as antibacterials | GLAXO GROUP LTD | 2011-06-22 | — | — | CN | disclosed |
| CN-101842357-A | Substituted pyrazole derivatives | TAKEDA PHARMACEUTICAL | 2010-09-22 | — | — | CN | disclosed |
| CN-1863779-B | indazole derivatives | UBE INDUSTRIES | 2010-05-05 | — | — | CN | disclosed |
| CN-101628888-A | Inhibitors of cytosolic phospholipase A2 | WYETH CORP | 2010-01-20 | — | — | CN | disclosed |
| CN-100503566-C | Cytosolic phospholipase A2 inhibitors | WYETH CORP (US) | 2009-06-24 | — | — | CN | disclosed |
| CN-101094830-A | Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation | SANOFI AVENTIS DEUTSCHLAND (DE) | 2007-12-26 | — | — | CN | disclosed |
| CN-1863779-A | Novel indazole derivative | UBE INDUSTRIES (JP) | 2006-11-15 | — | — | CN | disclosed |
| CN-1617855-A | Cytosolic phospholipase A2Inhibitors | WYETH CORP (US) | 2005-05-18 | — | — | CN | disclosed |