Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ3 | O43525 | 10/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 10/20 | 0.41 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9737626 | 0.91 | KCNQ3 (0.45) | KCNQ3KCNQ2MYCPTGS2KDM4E | |
| SCHEMBL9738434 | 0.90 | KCNQ3 (0.41) | KCNQ3KCNQ2MYCPTGS2ALDH1A1 | |
| SCHEMBL9737283 | 0.87 | PTGDR2 (0.47) | MYCPTGS2KDM4EALDH1A1 | |
| SCHEMBL9737491 | 0.86 | PTGS2 (0.41) | KCNQ3KCNQ2MYCPTGS2KDM4E | |
| SCHEMBL9737572 | 0.84 | TSPO (0.45) | KCNQ3KCNQ2MYCPTGS2KDM4E | |
| SCHEMBL9737163 | 0.83 | ALDH1A1 (0.43) | MYCPTGS2KDM4EALDH1A1HPGD | |
| SCHEMBL9738542 | 0.81 | TSPO (0.44) | — | |
| SCHEMBL9737222 | 0.80 | MYC (0.39) | KCNQ3KCNQ2MYCPTGS2ALDH1A1 | |
| SCHEMBL9737699 | 0.76 | PTGDR2 (0.46) | KCNQ3KCNQ2PTGS2KDM4EALDH1A1 | |
| SCHEMBL9737634 | 0.75 | KDM4E (0.48) | KDM4EALDH1A1CYP1A2HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5114944-A | Anxiolytic and anticonvulsant agents; muscle relaxants | A. H. ROBINS COMPANY INCORPORATED (US) | 1992-05-19 | — | — | US | claimed |
| US-5114944-A | Anxiolytic and anticonvulsant agents; muscle relaxants | A. H. ROBINS COMPANY INCORPORATED (US) | 1992-05-19 | — | — | US | disclosed |