Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | HNF4A | P41235 | 1/20 | 0.34 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28818318 | 0.85 | TAAR1 (0.40) | IDH1 | |
| SCHEMBL28009286 | 0.83 | PTPN5 (0.37) | PTPN5 | |
| SCHEMBL28008868 | 0.79 | CYP17A1 (0.36) | — | |
| SCHEMBL6235988 | 0.76 | TRPA1 (0.33) | PDK2 | |
| SCHEMBL27584156 | 0.76 | LOXL2 (0.43) | — | |
| SCHEMBL27944323 | 0.76 | KIF11 (0.36) | PDK2 | |
| SCHEMBL919909 | 0.76 | CALM1 (0.48) | CALM1IDH1PDK2PTPN5PRSS1 | |
| SCHEMBL9900323 | 0.76 | — | — | |
| SCHEMBL2093279 | 0.73 | CALM1 (0.50) | CALM1IDH1PRSS1PRSS2PRSS3 | |
| SCHEMBL27924941 | 0.73 | ALDH1A1 (0.35) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107849044-A | Thriazaspiro last of the ten Heavenly stems ketone compounds as DDR1 inhibitor | 豪夫迈·罗氏有限公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-101175724-B | pyrrolidine derivative or salt thereof | ASTELLAS PHARMA INC. (JP) | 2011-12-07 | — | — | CN | disclosed |
| CN-101175724-A | Pyrrolidine derivative or salt thereof | ASTELLAS PHARMA INC (JP) | 2008-05-07 | — | — | CN | disclosed |
| CN-1744899-A | Piperidine derivatives as CCR5 antagonists | SMITHKLINE BEECHAM CORP (US) | 2006-03-08 | — | — | CN | disclosed |
| US-5516797-A | SUPPRESSING GRAFT REJECTION | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1996-05-14 | — | — | US | disclosed |
| US-5330993-A | Immunosuppressive compounds | VERTEX PHARMACEUTICALS, INC. (US) | 1994-07-19 | — | — | US | disclosed |