Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.61 |
| ▸ | CA2 | P00918 | 3/20 | 0.61 |
| ▸ | CA7 | P43166 | 2/20 | 0.61 |
| ▸ | CA9 | Q16790 | 2/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.61 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22640188 | 0.93 | ESR2 (0.54) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL8489 | 0.78 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL21802643 | 0.78 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| SCHEMBL16422185 | 0.78 | ACHE (0.50) | CA1CA2CA7CA9ACHE | |
| SCHEMBL27729163 | 0.76 | CYP2A6 (0.42) | CA1CA2CA9MAPK1ALDH1A1 | |
| SCHEMBL17655321 | 0.76 | ESR2 (0.50) | CA1CA2CA9CA12CA14 | |
| SCHEMBL20112487 | 0.76 | TDP1 (0.52) | ACHETDP1MAPK1ALDH1A1NPC1 | |
| SCHEMBL19478974 | 0.76 | CA1 (0.58) | CA1CA2CA7CA9CA12 | |
| SCHEMBL27971125 | 0.76 | LMNA (0.42) | CA1CA2CA9ALDH1A1KDM4E | |
| 1,4-Dimethoxybenzene SCHEMBL27892470 | 0.75 | CA1 (0.92) | CA1CA2CA7CA9CA12 |
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-101679355-B | Benzimidazole cannabinoid agonists | JANSSEN PHARMACEUTICA NV | 2014-01-29 | — | — | CN | disclosed |
| CN-102127023-B | 7-membered ring compound, process for producing the same, and use thereof | DAIICHI SANKYO CO LTD | 2013-02-06 | — | — | CN | disclosed |
| CN-101495463-B | Seven-membered ring compound, production method thereof and pharmaceutical use thereof | DAIICHI SANKYO CO LTD | 2012-08-15 | — | — | CN | disclosed |
| CN-102127023-A | 7-membered ring compound, process for producing the same, and use thereof | DAIICHI ASUBIO PHARMA CO LTD | 2011-07-20 | — | — | CN | disclosed |
| CN-101160290-B | 7-membered ring compound, process for producing the same, and pharmaceutical use thereof | DAIICHI SANKYO CO LTD | 2011-01-19 | — | — | CN | disclosed |
| CN-101896471-A | Fluoroalkyl substituted benzimidazole cannabinoid agonists | JANSSEN PHARMACEUTICA NV | 2010-11-24 | — | — | CN | disclosed |
| CN-101679355-A | benzimidazole cannabinoid agonists | JANSSEN PHARMACEUTICA NV | 2010-03-24 | — | — | CN | disclosed |
| CN-101495463-A | Seven-membered ring compound, production method thereof and pharmaceutical use thereof | ASUBIO PHARMA CO LTD (JP) | 2009-07-29 | — | — | CN | disclosed |
| CN-101160290-A | 7-membered ring compound, process for producing the same, and pharmaceutical use thereof | ASUBIO PHARMA CO LTD (JP) | 2008-04-09 | — | — | CN | disclosed |
| CN-1210257-C | Substituted aromatic-ring compounds, process for producing the same, and us | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2005-07-13 | — | — | CN | disclosed |
| CN-1374946-A | Substituted aromatic-ring compounds, process for producing the same, and us | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2002-10-16 | — | — | CN | disclosed |
| CN-1083838-C | Nvel imidazole derivatives, method for preparing same, novel intermediates thus obtained, medicinal applications of same and pharmaceutical compositions containing same | ROUSSEL UCLEF (FR) | 2002-05-01 | — | — | CN | disclosed |
| CN-1159805-A | Nvel imidazole derivatives, method for preparing same, novel intermediates thus obtained, medicinal applications of same and pharmaceutical compositions containing same | ROUSSEL UCLAF (FR) | 1997-09-17 | — | — | CN | disclosed |