Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 4/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL27731572 | 0.95 | EPHX1 (0.40) | CA1CA2EPHX1CTSKBTK | |
| SCHEMBL6295533 | 0.84 | CA1 (0.37) | CA1CA2EPHX1CTSKBTK | |
| SCHEMBL3411401 | 0.79 | CA1 (0.39) | CA1CA2EPHX1CTSKBTK | |
| SCHEMBL3411407 | 0.79 | CA1 (0.39) | CA1CA2EPHX1CTSKBTK | |
| SCHEMBL3413490 | 0.79 | CA1 (0.39) | CA1CA2EPHX1CTSKBTK | |
| SCHEMBL29689842 | 0.78 | CTSK (0.41) | CA1CA2EPHX1CTSKBTK | |
| SCHEMBL27429752 | 0.77 | FAP (0.34) | CA1CA2ALDH1A1 | |
| SCHEMBL30388232 | 0.77 | HSD17B10 (0.44) | CA1CA2EPHX1CTSKBTK | |
| SCHEMBL1907844 | 0.77 | HSD17B10 (0.44) | CA1CA2EPHX1CTSKBTK | |
| SCHEMBL22887890 | 0.76 | CA1 (0.39) | CA1CA2EPHX1CTSKBTK |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0665215-A1 | 1,4-Diamino-2,3-dihydroxybutanes | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-08-02 | — | — | EP | disclosed |
| US-5430155-A | Viricides, treatment of AIDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-07-04 | — | — | US | disclosed |
| US-5294720-A | Viricides | THE DUPONT MERCK PHARMACEUTICAL CO. (US) | 1994-03-15 | — | — | US | disclosed |
| EP-0532693-A1 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-24 | — | — | EP | disclosed |