Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.38 |
| ▸ | NCSTN | Q92542 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17460674 | 0.84 | HPGDS (0.48) | HPGDSEGFRPRKDCERBB2 | |
| SCHEMBL27970960 | 0.82 | CYP17A1 (0.48) | HPGDSCYP17A1CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL24726522 | 0.77 | RXRA (0.54) | CTSSCTSKCYP11B2RXRARXRB | |
| SCHEMBL10022432 | 0.76 | CYP11B1 (0.49) | CTSSCTSKCYP11B1CYP11B2GRIN1 | |
| SCHEMBL29788929 | 0.76 | PIK3CD (0.61) | HPGDSCYP17A1CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL17460668 | 0.76 | HPGDS (0.59) | HPGDSEGFRERBB2 | |
| SCHEMBL27970954 | 0.75 | RXRA (0.62) | CLK4MAP4K4RXRARXRBRXRG | |
| SCHEMBL20710593 | 0.75 | CTSK (0.49) | CTSSCTSKCYP11B1ALDH1A1PSEN1 | |
| SCHEMBL8240673 | 0.75 | CLK4 (0.49) | CTSSCTSKCLK4RXRARXRB | |
| SCHEMBL15340845 | 0.75 | BIRC5 (0.60) | CYP1A2CLK4MAP4K4RXRARXRB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103906735-A | Novel aryl-quinoline derivatives | HOFFMANN LA ROCHE | 2014-07-02 | — | — | CN | disclosed |