Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9734080 | 0.81 | PDE4B (0.36) | OPRM1ALDH1A1TDP1OPRD1MEN1 | |
| SCHEMBL10697118 | 0.79 | RAB9A (0.37) | CASP3PDK2ALDH1A1SMN1; SMN2ATM | |
| SCHEMBL9733895 | 0.79 | PDK2 (0.39) | CASP3PDK2ALDH1A1SMN1; SMN2ATM | |
| SCHEMBL9733491 | 0.78 | CASP3 (0.36) | CASP3PDK2ALDH1A1SMN1; SMN2ATM | |
| SCHEMBL9372349 | 0.71 | RAB9A (0.37) | OPRM1CASP3ALDH1A1SMN1; SMN2ATM | |
| SCHEMBL8088431 | 0.71 | CNR2 (0.37) | OPRM1CASP3ALDH1A1SMN1; SMN2ATM | |
| SCHEMBL9733741 | 0.68 | GABRA1 (0.41) | ALDH1A1SMN1; SMN2KDM4ETDP1MEN1 | |
| SCHEMBL13131194 | 0.68 | CASP3 (0.44) | CASP3PDK2BACE1ALDH1A1SMN1; SMN2 | |
| SCHEMBL10697215 | 0.67 | S100A4 (0.34) | PDK2KDM4E | |
| SCHEMBL9734695 | 0.66 | KMT2A (0.40) | PDK2ALDH1A1TDP1MEN1KMT2A |
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 |