Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | MDH2 | P40926 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9733799 | 0.89 | MAPT (0.40) | ALDH1A1SMN1; SMN2LMNACCNB2CDK1 | |
| SCHEMBL9734695 | 0.88 | KMT2A (0.40) | PDK2F10ALDH1A1 | |
| SCHEMBL9733318 | 0.88 | S100A4 (0.38) | PDK2F10 | |
| SCHEMBL10433122 | 0.87 | F10 (0.40) | PDK2F10ALDH1A1SMN1; SMN2MAPK14 | |
| SCHEMBL9733491 | 0.86 | CASP3 (0.36) | PDK2CASP3ALDH1A1ATMSMN1; SMN2 | |
| SCHEMBL10433092 | 0.86 | F10 (0.36) | F10 | |
| SCHEMBL9733195 | 0.83 | HRH4 (0.34) | F10 | |
| SCHEMBL9734404 | 0.80 | MAOA (0.43) | PDK2F10ALDH1A1SMN1; SMN2 | |
| SCHEMBL9589751 | 0.80 | CASP3 (0.38) | PDK2CASP3F10ALDH1A1ATM | |
| SCHEMBL9733018 | 0.79 | HRH4 (0.34) | ALDH1A1NPSR1 |
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-5132307-A | TETRALIN COMPOUNDS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-07-21 | — | — | US | disclosed |
| EP-0368160-A1 | Tetralin derivatives | MERCK PATENT GmbH (DE) | 1990-05-16 | — | — | EP | disclosed |