Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.46 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 2/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.36 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.36 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27570720 | 0.88 | ALDH1A1 (0.46) | P2RX1TSHRALDH1A1HTTNPSR1 | |
| SCHEMBL28158467 | 0.86 | TSHR (0.40) | GPR35P2RX1TSHRALDH1A1HTT | |
| SCHEMBL28210919 | 0.86 | THRB (0.43) | CRHBPCRHR2TSHRG6PDALDH1A1 | |
| SCHEMBL1185557 | 0.79 | GPR35 (0.53) | GPR35P2RX1CRHBPCRHR2TSHR | |
| SCHEMBL28124773 | 0.79 | TDP1 (0.55) | GPR35CRHBPCRHR2TSHRALDH1A1 | |
| SCHEMBL28270666 | 0.78 | ITGB1 (0.38) | ALDH1A1HTTITGB1ITGA5 | |
| SCHEMBL27828496 | 0.78 | ABCB1 (0.39) | P2RX1ALDH1A1LMNA | |
| SCHEMBL27828446 | 0.78 | MEN1 (0.37) | TSHRALDH1A1HTTLMNATDP1 | |
| SCHEMBL391265 | 0.77 | GPR35 (0.58) | GPR35P2RX1CRHBPCRHR2TSHR | |
| SCHEMBL31258847 | 0.77 | GPR35 (0.58) | GPR35P2RX1CRHBPCRHR2TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |