Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 12/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11939778 | 0.82 | OPRM1 (0.42) | SIGMAR1OPRM1OPRK1OPRL1SLC18A3 | |
| SCHEMBL12934948 | 0.79 | ALDH1A1 (0.49) | SIGMAR1ALDH1A1MEN1KMT2AOPRM1 | |
| SCHEMBL11939435 | 0.78 | OPRM1 (0.40) | SIGMAR1HTR2AHTR2CHTR2BOPRM1 | |
| SCHEMBL24481541 | 0.77 | SIGMAR1 (0.60) | SIGMAR1TSHRCYP2C19CYP2D6TP53 | |
| SCHEMBL14467581 | 0.76 | SIGMAR1 (0.58) | SIGMAR1TSHRCYP2C19CYP2D6TP53 | |
| SCHEMBL11939412 | 0.76 | KCNH2 (0.41) | SIGMAR1HTR2AHTR2CHTR2BOPRM1 | |
| SCHEMBL1206722 | 0.75 | SIGMAR1 (0.64) | SIGMAR1TSHRCYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL11940836 | 0.74 | NAMPT (0.40) | HTR2AHTR2CHTR2BOPRM1OPRK1 | |
| SCHEMBL11939419 | 0.73 | OPRM1 (0.42) | SIGMAR1HTR2AHTR2CHTR2BKMT2A | |
| SCHEMBL11939156 | 0.73 | KEAP1 (0.46) | SIGMAR1HTR2AHTR2CHTR2BMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1817036-B1 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMA (US) | 2012-07-04 | — | — | EP | disclosed |