Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 14/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 3/20 | 0.50 |
| ▸ | HTR2A | P28223 | 3/20 | 0.50 |
| ▸ | HTR2C | P28335 | 3/20 | 0.50 |
| ▸ | HTR2B | P41595 | 3/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5137746 | 1.00 | SIGMAR1 (0.52) | SIGMAR1CYP3A4TP53CYP1A2CYP2D6 | |
| SCHEMBL1713596 | 0.80 | SIGMAR1 (0.59) | SIGMAR1CYP3A4TP53CYP1A2CYP2D6 | |
| SCHEMBL2101748 | 0.77 | MEN1 (0.48) | SIGMAR1CYP2C19ALDH1A1HTR2AHTR2C | |
| SCHEMBL13001590 | 0.77 | MEN1 (0.48) | SIGMAR1CYP2C19ALDH1A1HTR2AHTR2C | |
| SCHEMBL11546653 | 0.77 | HPGD (0.41) | CYP1A2CYP2C19ALDH1A1MAPK1MEN1 | |
| SCHEMBL11546655 | 0.77 | HPGD (0.41) | CYP1A2CYP2C19ALDH1A1MAPK1MEN1 | |
| SCHEMBL20225530 | 0.76 | SIGMAR1 (0.54) | SIGMAR1CYP3A4TP53CYP1A2CYP2D6 | |
| SCHEMBL20549006 | 0.76 | SIGMAR1 (0.54) | SIGMAR1CYP3A4TP53CYP1A2CYP2D6 | |
| SCHEMBL12017851 | 0.76 | SIGMAR1 (0.68) | SIGMAR1CYP3A4DRD2HTR2AOPRL1 | |
| SCHEMBL12019172 | 0.76 | SIGMAR1 (0.68) | SIGMAR1CYP3A4DRD2HTR2AOPRL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110023315-B | Novel compound or pharmacologically acceptable salt thereof | 国立研究开发法人理化学研究所 | 2021-11-12 | — | — | CN | disclosed |
| EP-1987034-A1 | SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS | Vertex Pharmceuticals Incorporated (US) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007100670-A1 | SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-09-07 | — | — | WO | disclosed |