Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 7/20 | 0.51 |
| ▸ | OPRL1 | P41146 | 7/20 | 0.51 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.51 |
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9479601 | 0.85 | CYP2D6 (0.54) | SIGMAR1CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL13664908 | 0.81 | SIGMAR1 (0.56) | SIGMAR1CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL4408727 | 0.77 | SIGMAR1 (0.67) | SIGMAR1CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL6339199 | 0.77 | IDO1 (0.64) | SIGMAR1CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL2743258 | 0.76 | SIGMAR1 (0.67) | SIGMAR1CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7379764 | 0.76 | SIGMAR1 (0.64) | SIGMAR1CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL19041309 | 0.75 | SIGMAR1 (0.58) | SIGMAR1CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL29860963 | 0.75 | SIGMAR1 (0.58) | SIGMAR1CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL14112074 | 0.75 | SIGMAR1 (0.50) | SIGMAR1CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL13518880 | 0.75 | SIGMAR1 (0.59) | SIGMAR1CYP2C9CYP2C19CYP2D6ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1385514-A4 | SPIROINDENE AND SPIROINDANE COMPOUNDS | EURO CELTIQUE SA (LU) | 2005-04-13 | — | — | EP | disclosed |
| EP-1385514-A1 | SPIROINDENE AND SPIROINDANE COMPOUNDS | Euro-Celtique S.A. (LU) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002085354-A1 | SPIROINDENE AND SPIROINDANE COMPOUNDS | EURO-CELTIQUE S.A. (LU) | 2002-10-31 | — | — | WO | disclosed |