Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.54 |
| ▸ | TSHR | P16473 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31610241 | 0.85 | TSHR (0.42) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| SCHEMBL3249045 | 0.79 | CYP1A2 (0.54) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| SCHEMBL5251870 | 0.79 | CYP1A2 (0.54) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| SCHEMBL5431973 | 0.77 | CYP2A6 (0.46) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| SCHEMBL31676618 | 0.77 | CYP2A6 (0.46) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| SCHEMBL23054105 | 0.75 | CYP2A6 (0.44) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| SCHEMBL688993 | 0.75 | ALDH1A1 (0.46) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| SCHEMBL20529660 | 0.75 | PTPN22 (0.54) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| SCHEMBL21160351 | 0.75 | CYP2A6 (0.44) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| SCHEMBL30220310 | 0.75 | CYP2A6 (0.44) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113493454-B | Quinolizine aza double aromatic ring axial chiral compound and its synthesis method | 南京理工大学 | 2022-05-27 | — | — | CN | disclosed |
| CN-113493454-A | Quinolizine aza double aromatic ring axial chiral compound and its synthesis method | 南京理工大学 | 2021-10-12 | — | — | CN | disclosed |
| EP-1964861-B1 | ACETYLENE-BASED POLYMER | NAT INST OF ADVANCED IND SCIEN (JP) | 2012-10-17 | — | — | EP | disclosed |
| US-7977441-B2 | Acetylene-based polymer | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2011-07-12 | — | — | US | disclosed |
| US-7777218-B1 | Memory cell containing copolymer containing diarylacetylene portion | SPANSION LLC (US) | 2010-08-17 | — | — | US | disclosed |
| US-7715083-B2 | Light control material and light control film | SEKISUI CHEMICAL CO., LTD. (JP) | 2010-05-11 | — | — | US | disclosed |
| US-20090253872-A1 | Acetylene-Based Polymer | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2009-10-08 | — | — | US | disclosed |
| US-20090080056-A1 | Light Control Material and Light Control Film | SEKISUI CHEMICAL CO., LTD (JP) | 2009-03-26 | — | — | US | disclosed |
| EP-1964861-A1 | ACETYLENE POLYMER | National Institute of Advanced Industrial Science and Technology (JP) | 2008-09-03 | — | — | EP | disclosed |
| EP-1953575-A1 | LIGHT CONTROL MATERIAL AND LIGHT CONTROL FILM | Sekisui Chemical Co., Ltd. (JP) | 2008-08-06 | — | — | EP | disclosed |
| US-7105374-B1 | Memory cell containing copolymer containing diarylacetylene portion | SPANSION LLC (US) | 2006-09-12 | — | — | US | disclosed |