Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | GSTK1 | Q9Y2Q3 | 1/20 | 0.47 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
| ▸ | CPA1 | P15085 | 1/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.39 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.39 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24374682 | 0.84 | PTGS1 (0.45) | PTGS1GSTK1GLO1MMEACE | |
| SCHEMBL19774705 | 0.84 | GSTK1 (0.65) | PTGS1GSTK1GLO1MMEACE | |
| SCHEMBL18383664 | 0.84 | GSTK1 (0.65) | PTGS1GSTK1GLO1MMEACE | |
| SCHEMBL24829528 | 0.84 | GSTK1 (0.65) | PTGS1GSTK1GLO1MMEACE | |
| SCHEMBL19160474 | 0.83 | EPHX2 (0.51) | PTGS1GSTK1GLO1FAAHALDH1A1 | |
| SCHEMBL20438348 | 0.83 | PTGS1 (0.46) | PTGS1GSTK1GLO1FAAHALDH1A1 | |
| SCHEMBL26242264 | 0.83 | PTGS1 (0.46) | PTGS1GSTK1GLO1FAAHALDH1A1 | |
| SCHEMBL14538668 | 0.82 | NOD1 (0.51) | PTGS1GSTK1GLO1NOD1SLC6A5 | |
| SCHEMBL19774718 | 0.81 | PTGS1 (0.42) | PTGS1GSTK1GLO1FAAHALDH1A1 | |
| SCHEMBL24072492 | 0.81 | PTGS1 (0.42) | PTGS1GSTK1GLO1FAAHALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018041985-A1 | CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES | FORSCHUNGSVERBUND BERLIN E.V. (DE) | 2018-03-08 | — | — | WO | disclosed |