Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL4461655 | 0.85 | CA2 (0.50) | ALDH1A1CA2HSD11B1TSHRTDP1 | |
| SCHEMBL5807469 | 0.84 | ALDH1A1 (0.44) | ALDH1A1CA2MAPK1HSD11B1TSHR | |
| SCHEMBL27741629 | 0.81 | CA2 (0.46) | ALDH1A1CA2TSHRTDP1GABRA1 | |
| SCHEMBL27524063 | 0.78 | CA2 (0.40) | ALDH1A1CA2TSHRTDP1GABRA1 | |
| SCHEMBL10386115 | 0.78 | ALDH1A1 (0.40) | ALDH1A1CA2MAPK1HSD11B1TSHR | |
| SCHEMBL499865 | 0.78 | CA2 (0.43) | ALDH1A1CA2HSD11B1TSHRTDP1 | |
| SCHEMBL9235786 | 0.77 | ALDH1A1 (0.57) | ALDH1A1CA2MAPK1TSHRTDP1 | |
| SCHEMBL27759190 | 0.77 | CA2 (0.39) | ALDH1A1CA2MAPK1HSD11B1TSHR | |
| SCHEMBL1194487 | 0.76 | CA2 (0.41) | ALDH1A1CA2MAPK1HSD11B1TSHR | |
| SCHEMBL27480276 | 0.76 | CA2 (0.41) | ALDH1A1CA2MAPK1HSD11B1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102126963-B | Spirobifluorene amido compound and preparation method thereof | UNIV SHANGHAI | 2013-10-16 | — | — | CN | claimed |
| CN-102126963-B | Spirobifluorene amido compound and preparation method thereof | UNIV SHANGHAI | 2013-10-16 | — | — | CN | disclosed |
| CN-102351639-A | Preparation method for 2,7-dibromo-9,9'-spirobifiuorene | UNIV SHANGHAI | 2012-02-15 | — | — | CN | disclosed |
| CN-102126963-A | Spirobifluorene amido compound and preparation method thereof | UNIV SHANGHAI | 2011-07-20 | — | — | CN | disclosed |