Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | CSF1R | P07333 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | PRKACA | P17612 | 1/20 | 0.37 |
| ▸ | LTK | P29376 | 1/20 | 0.37 |
| ▸ | GRK5 | P34947 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | CLK2 | P49760 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17440329 | 1.00 | SLC18A3 (0.41) | SLC18A3SIGMAR1SRD5A1GRIN2BADRA1A | |
| SCHEMBL6171915 | 0.79 | SLC18A3 (0.37) | SLC18A3SIGMAR1SRD5A1GRIN2BADRA1A | |
| SCHEMBL25073357 | 0.76 | SLC18A3 (0.41) | SLC18A3SIGMAR1SRD5A1GRIN2BADRA1A | |
| SCHEMBL9876026 | 0.76 | SRD5A1 (0.43) | SLC18A3SIGMAR1SRD5A1GRIN2BADRA1A | |
| SCHEMBL6740701 | 0.76 | SLC18A3 (0.41) | SLC18A3SIGMAR1SRD5A1GRIN2BADRA1A | |
| SCHEMBL24105190 | 0.76 | SLC18A3 (0.41) | SLC18A3SIGMAR1SRD5A1GRIN2BADRA1A | |
| SCHEMBL9372709 | 0.76 | GAA (0.41) | SLC18A3SIGMAR1SRD5A1GRIN2BADRA1A | |
| SCHEMBL29060987 | 0.73 | CYP2C9 (0.40) | MAPTAKR1C3POLBKDM4EHPGD | |
| SCHEMBL9517298 | 0.72 | DRD3 (0.41) | SLC18A3SIGMAR1SRD5A1GRIN2BADRA1A | |
| SCHEMBL14789289 | 0.72 | SLC18A3 (0.37) | SLC18A3SIGMAR1SRD5A1GRIN2BADRA1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3169319-A2 | TRANSITION METAL-BASED SELECTIVE FUNCTIONALIZATION OF CHALCOGENS IN BIOMOLECULES | Massachusetts Institute Of Technology (US) | 2017-05-24 | — | — | EP | disclosed |
| WO-2016011107-A2 | TRANSITION METAL-BASED SELECTIVE FUNCTIONALIZATION OF CHALCOGENS IN BIOMOLECULES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-01-21 | — | — | WO | disclosed |