Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.63 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9361366 | 0.86 | TDP1 (0.56) | TDP1NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL451184 | 0.84 | TDP1 (0.68) | TDP1HCAR2APPESR1ESR2 | |
| SCHEMBL22832718 | 0.84 | TDP1 (0.81) | TDP1HCAR2APPESR1ESR2 | |
| SCHEMBL9367557 | 0.82 | TDP1 (0.92) | TDP1HCAR2APPESR1ESR2 | |
| SCHEMBL8890081 | 0.82 | TDP1 (0.66) | TDP1HCAR2APPESR1ESR2 | |
| SCHEMBL245747 | 0.82 | ALDH1A1 (0.66) | TDP1HCAR2APPESR1ESR2 | |
| SCHEMBL6025448 | 0.82 | TDP1 (0.66) | TDP1HCAR2APPESR1ESR2 | |
| SCHEMBL10731158 | 0.81 | THRB (0.59) | TDP1NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL23760102 | 0.81 | TDP1 (0.63) | TDP1HCAR2APPESR1ESR2 | |
| SCHEMBL1960554 | 0.81 | TDP1 (0.63) | TDP1HCAR2APPESR1ESR2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105779130-A | Method for preparing marigold volatile oil by fermentation and application of marigold volatile oil | 湖北中烟工业有限责任公司 | 2016-07-20 | — | — | CN | disclosed |
| CN-102753542-B | Substituted benzazepines as T0 LL-like receptor modulators | VENTIRX PHARMACEUTICALS, INC. (US) | 2016-01-20 | — | — | CN | disclosed |
| CN-104592016-A | Efficient catalysis method for direct esterification and transesterification | UNIV HUNAN | 2015-05-06 | — | — | CN | disclosed |
| CN-101605775-B | Substituted 3-phenyl-1-(phenylthienyl)propan-1-one and 3-phenyl-1-(phenylfuranyl)propan-1-one derivatives, and preparation and use of same | GENFIT FR | 2014-11-12 | — | — | CN | disclosed |
| US-20130046087-A1 | Substituted Cyclodextrin Derivatives Useful As Intermediates For Producing Biologically Active Materials | ARCARIOS BV (NL) | 2013-02-21 | — | — | US | disclosed |
| EP-2550299-A2 | Substituted cyclodextrin derivatives and process for their preparation | Arcarios B.V. (NL) | 2013-01-30 | — | — | EP | disclosed |
| CN-102834416-A | Substituted cyclodextrin derivatives useful as intermediates for producing biologically active materials | ARCARIOS BV | 2012-12-19 | — | — | CN | disclosed |
| CN-102753542-A | Substituted benzazepines as modulators of TOLL-like receptors | VENTIRX PHARMACEUTICALS INC | 2012-10-24 | — | — | CN | disclosed |
| WO-2011117317-A2 | SUBSTITUTED CYCLODEXTRIN DERIVATIVES USEFUL AS INTERMEDIATES FOR PRODUCING BIOLOGICALLY ACTIVE MATERIALS | ARCARIOS BV (NL) | 2011-09-29 | — | — | WO | disclosed |
| CN-101605775-A | 3-phenyl-1-(phenyl thienyl) third-1-ketone that replaces and derivative, preparation and the purposes of 3-phenyl-1-(benzofurane base) third-1-ketone | GENFIT (FR) | 2009-12-16 | — | — | CN | disclosed |
| WO-2008096128-A1 | OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES 2 | ARGENTA DISCOVERY LTD (GB) | 2008-08-14 | — | — | WO | disclosed |
| US-6562782-B1 | Oligocycloalkanoids having a bacteriacidally effect; capable of binding lipids and/or endotoxins | UNIVERSITY OF ROCHESTER | 2003-05-13 | — | — | US | disclosed |