Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ICAM1 | P05362 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | TAS2R46 | P59540 | 2/20 | 0.32 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21479531 | 1.00 | ICAM1 (0.38) | ICAM1CYP3A4RECQLTDP1CYP1A2 | |
| SCHEMBL21479532 | 1.00 | ICAM1 (0.38) | ICAM1CYP3A4RECQLTDP1CYP1A2 | |
| SCHEMBL23008046 | 1.00 | ICAM1 (0.38) | ICAM1CYP3A4RECQLTDP1CYP1A2 | |
| SCHEMBL21479498 | 0.87 | ICAM1 (0.39) | ICAM1CYP3A4RECQLTDP1CYP1A2 | |
| SCHEMBL23007843 | 0.87 | ICAM1 (0.39) | ICAM1CYP3A4RECQLTDP1CYP1A2 | |
| SCHEMBL21479510 | 0.87 | ICAM1 (0.39) | ICAM1CYP3A4RECQLTDP1CYP1A2 | |
| SCHEMBL21475296 | 0.85 | ICAM1 (0.41) | ICAM1CYP3A4RECQLTDP1CYP1A2 | |
| SCHEMBL21475312 | 0.85 | ICAM1 (0.41) | ICAM1CYP3A4RECQLTDP1CYP1A2 | |
| SCHEMBL22991774 | 0.85 | ICAM1 (0.41) | ICAM1CYP3A4RECQLTDP1CYP1A2 | |
| SCHEMBL21479533 | 0.81 | — | — |
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-3778581-A1 | NOVEL LACTONE COMPOUND AND NOVEL ETHER COMPOUND | Takasago International Corporation (JP) | 2021-02-17 | — | — | EP | disclosed |