Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29077435 | 0.86 | PTGS1 (0.60) | PTGS1PTGS2KMT2AMEN1CYP2D6 | |
| SCHEMBL10827924 | 0.83 | PREP (0.42) | PTGS1PTGS2HPGDMT-CO2L3MBTL1 | |
| SCHEMBL8697435 | 0.82 | PTGS1 (0.48) | PTGS1PTGS2KMT2AMEN1CYP2D6 | |
| SCHEMBL20103379 | 0.81 | FFAR1 (0.44) | — | |
| SCHEMBL16798039 | 0.81 | FFAR1 (0.44) | — | |
| SCHEMBL16798037 | 0.81 | FFAR1 (0.44) | — | |
| SCHEMBL17391681 | 0.81 | FFAR1 (0.44) | — | |
| SCHEMBL343105 | 0.80 | CA12 (0.40) | PTGS1KMT2AMEN1HSP90AA1HSP90AB1 | |
| SCHEMBL5352751 | 0.79 | PTGS1 (0.60) | PTGS1PTGS2KMT2AMEN1L3MBTL1 | |
| SCHEMBL15242469 | 0.79 | CA1 (0.42) | PTGS1HSP90AA1HSP90AB1HPGDCA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4276092-A1 | COMPOUND LIBRARY | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2023-11-15 | — | — | EP | disclosed |
| EP-4276092-A1 | COMPOUND LIBRARY | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2023-11-15 | — | — | EP | disclosed |
| WO-2022149617-A1 | COMPOUND LIBRARY | 中外製薬株式会社 | 2022-07-14 | — | — | WO | disclosed |