Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16912671 | 0.87 | CYP2C9 (0.40) | CYP2C9CYP2C19ACE2TDP1 | |
| SCHEMBL15658337 | 0.85 | CYP2C9 (0.39) | CYP2C9CYP2C19ACE2TDP1 | |
| Trientine SCHEMBL9064125 | 0.85 | CYP2C9 (0.39) | CYP2C9CYP2C19ACE2TDP1 | |
| SCHEMBL1264193 | 0.83 | — | — | |
| SCHEMBL2478832 | 0.81 | CYP2C9 (0.31) | CYP2C9CYP2C19ACE2 | |
| SCHEMBL18152543 | 0.79 | ACE2 (0.40) | CYP2C9CYP2C19ACE2TDP1 | |
| SCHEMBL19212600 | 0.77 | SIGMAR1 (0.33) | — | |
| Methylpiperazine SCHEMBL28849278 | 0.76 | ACE2 (0.42) | CYP2C9CYP2C19ACE2TDP1 | |
| SCHEMBL28385533 | 0.73 | — | — | |
| SCHEMBL8871385 | 0.72 | — | — |
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-1996017880-A1 | NOVEL POLYURETHANE TOUGHENER, THERMOSETTING RESIN COMPOSITIONS AND ADHESIVES | THE DEXTER CORPORATION (US) | 1996-06-13 | — | — | WO | disclosed |