Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 19/20 | 0.74 |
| ▸ | TP53 | P04637 | 2/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.74 |
| ▸ | TSHR | P16473 | 2/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.74 |
| ▸ | DRD2 | P14416 | 3/20 | 0.64 |
| ▸ | HTR2A | P28223 | 3/20 | 0.64 |
| ▸ | HTR2C | P28335 | 3/20 | 0.64 |
| ▸ | HTR2B | P41595 | 3/20 | 0.64 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | MTOR | P42345 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | BLM | P54132 | 1/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL4405647 | 0.94 | SIGMAR1 (0.63) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL466954 | 0.86 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15800713 | 0.79 | ACHE (0.62) | SIGMAR1TP53ALDH1A1DRD2NFKB1 | |
| SCHEMBL3817479 | 0.79 | SIGMAR1 (0.84) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL467191 | 0.79 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29802790 | 0.79 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL29725559 | 0.77 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7380092 | 0.77 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| Maleic Acid SCHEMBL29761658 | 0.77 | SIGMAR1 (0.80) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| Fumaric Acid SCHEMBL29766849 | 0.77 | SIGMAR1 (0.80) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 |
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 |