Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4980059 | 0.80 | CA1 (0.36) | CA1CA2PDK2HDAC1HDAC2 | |
| SCHEMBL28126445 | 0.77 | HDAC1 (0.34) | CA1CA2HDAC1HDAC2TRPV6 | |
| SCHEMBL1878004 | 0.76 | CA1 (0.46) | CA1CA2TRPV6LTA4HTSHR | |
| SCHEMBL27082118 | 0.76 | CA4 (0.32) | TRPV6LTA4HTSHR | |
| SCHEMBL9443206 | 0.74 | CA1 (0.44) | CA1CA2TRPV6LTA4HTSHR | |
| SCHEMBL4769224 | 0.74 | CA4 (0.42) | CA1CA2TRPV6LTA4HTSHR | |
| SCHEMBL28867226 | 0.74 | CA1 (0.38) | CA1CA2PDK2PDK1PDK3 | |
| SCHEMBL29272668 | 0.74 | CA1 (0.38) | CA1CA2PDK2HDAC1HDAC2 | |
| SCHEMBL2410444 | 0.73 | TRPV6 (0.53) | CA1CA2TRPV6LTA4HTSHR | |
| SCHEMBL26120489 | 0.73 | CA1 (0.34) | CA1CA2PDK2HDAC1HDAC2 |
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-106432608-A | Boron-containing gel polymer electrolyte and preparation method and application thereof | 复旦大学 | 2017-02-22 | — | — | CN | claimed |
| CN-106229547-A | A kind of boracic solid polymer electrolyte and its preparation method and application | 复旦大学 | 2016-12-14 | — | — | CN | claimed |
| CN-105801588-A | Noscapine derivative, and preparation method and application thereof | 长沙凯得尔森生物技术有限公司 | 2016-07-27 | — | — | CN | claimed |
| CN-103787966-B | A kind of compound and the application in preparing medicine for parasitic disease thereof | 清华大学 | 2016-06-15 | — | — | CN | claimed |
| CN-108884079-A | 6, 7-dihydro-5H-benzo [7] annulene derivatives as estrogen receptor modulators | 赛诺菲 | 2018-11-23 | — | — | CN | disclosed |
| CN-108699044-A | New pyrrolidin derivatives | 豪夫迈·罗氏有限公司 | 2018-10-23 | — | — | CN | disclosed |
| CN-103946220-B | Inhibitors of baculovirus containing fragment {2- [4- (biphenyl-4-yl) -1H-imidazol-2-yl ] pyrrolidine-1-carbonylmethyl } amine | 施万生物制药研发IP有限责任公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-107082782-A | Substituted xanthine and its application method | 海德拉生物科学有限公司 | 2017-08-22 | — | — | CN | disclosed |
| CN-105143229-B | Substituted xanthines and methods of use thereof | 海德拉生物科学有限公司 | 2017-06-30 | — | — | CN | disclosed |
| CN-103992311-B | Hedgehog signal pathway inhibitor | 东南大学 | 2017-01-25 | — | — | CN | disclosed |
| CN-106229547-A | A kind of boracic solid polymer electrolyte and its preparation method and application | 复旦大学 | 2016-12-14 | — | — | CN | disclosed |
| CN-105801588-A | Noscapine derivative, and preparation method and application thereof | 长沙凯得尔森生物技术有限公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-103787966-B | A kind of compound and the application in preparing medicine for parasitic disease thereof | 清华大学 | 2016-06-15 | — | — | CN | disclosed |