Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | TDP2 | O95551 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 2/20 | 0.35 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | S100A4 | P26447 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP4 | P49662 | 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 | |
|---|---|---|---|---|
| SCHEMBL9733797 | 0.84 | MEN1 (0.40) | MAPTALDH1A1CA1CA2CA9 | |
| SCHEMBL10433117 | 0.83 | ESR1 (0.34) | MAPTALDH1A1TDP2TDP1TSHR | |
| SCHEMBL10695563 | 0.78 | CA9 (0.36) | MAPTALDH1A1CA1CA2CA9 | |
| SCHEMBL10433223 | 0.77 | ALDH1A1 (0.36) | GAAMAPTALDH1A1CA1CA2 | |
| SCHEMBL9733353 | 0.76 | CHRM1 (0.37) | MAPTALDH1A1TDP2CASP3CAPN9 | |
| SCHEMBL8077028 | 0.68 | CA9 (0.35) | MAPTALDH1A1CA1CA2CA9 | |
| SCHEMBL9371363 | 0.68 | CA1 (0.35) | MAPTALDH1A1CA1CA2CA9 | |
| SCHEMBL9733088 | 0.68 | MAPT (0.36) | MAPTTDP1PGRKMT2ALMNA | |
| SCHEMBL9733851 | 0.67 | MAOB (0.34) | TDP2CASP3PGRCYP2C9CYP2C19 | |
| SCHEMBL9733018 | 0.66 | HRH4 (0.34) | ALDH1A1CYP3A4PGRCYP2C9 |
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 |