Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CDC42 | P60953 | 1/20 | 0.51 |
| ▸ | RAC1 | P63000 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.49 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9250861 | 1.00 | PTGS2 (0.51) | PTGS2PTGS1AKR1C3AKR1C2TSHR | |
| Ketoprofen SCHEMBL5463317 | 0.85 | AKR1C3 (0.72) | PTGS2PTGS1AKR1C3AKR1C2TSHR | |
| SCHEMBL2909326 | 0.84 | MAPT (0.66) | PTGS2PTGS1SLC22A6CYP1A2MAPT | |
| SCHEMBL2909324 | 0.84 | MAPT (0.66) | PTGS2PTGS1SLC22A6CYP1A2MAPT | |
| SCHEMBL7339941 | 0.84 | MAPT (0.66) | PTGS2PTGS1SLC22A6CYP1A2MAPT | |
| SCHEMBL4831638 | 0.82 | AKR1C3 (0.58) | PTGS2PTGS1AKR1C3AKR1C2TSHR | |
| SCHEMBL30218646 | 0.82 | AKR1C3 (0.58) | PTGS2PTGS1AKR1C3AKR1C2TSHR | |
| SCHEMBL29533915 | 0.82 | AKR1C3 (0.58) | PTGS2PTGS1AKR1C3AKR1C2TSHR | |
| SCHEMBL616312 | 0.82 | AKR1C3 (0.58) | PTGS2PTGS1AKR1C3AKR1C2TSHR | |
| SCHEMBL2915186 | 0.82 | AKR1C3 (0.58) | PTGS2PTGS1AKR1C3AKR1C2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5430194-A | Maintaining solution at temperature above eutectic temperature of mixture such that solubility limit of first aldehyde is exceeded to form crystalline first aldehyde containing less of second aldehyde | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1995-07-04 | — | — | US | claimed |