Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | S1PR2 | O95136 | 6/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LAP3 | P28838 | 2/20 | 0.36 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8076301 | 1.00 | TP53 (0.50) | TP53S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL28803665 | 0.94 | TP53 (0.59) | TP53S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL27662459 | 0.92 | TP53 (0.57) | TP53S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL27784488 | 0.92 | TP53 (0.57) | TP53S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL9657411 | 0.92 | TP53 (0.57) | TP53S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL7552156 | 0.92 | TP53 (0.57) | TP53S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL28061348 | 0.92 | TP53 (0.57) | TP53S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL28083774 | 0.81 | ALDH1A1 (0.42) | TP53S1PR2S1PR1S1PR3DPP7 | |
| SCHEMBL353077 | 0.81 | S1PR2 (0.59) | TP53S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL8748124 | 0.80 | APP (0.46) | TP53ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105431571-A | Organic disulfide based corrosion inhibitors | ECOLAB USA INC | 2016-03-23 | — | — | CN | claimed |
| CN-105431571-A | Organic disulfide based corrosion inhibitors | ECOLAB USA INC | 2016-03-23 | — | — | CN | disclosed |
| EP-0555537-B1 | Endothelin antagonists | BANYU PHARMA CO LTD (JP) | 2000-11-02 | — | — | EP | disclosed |
| US-5614498-A | OLIGOPEPTIDES, BRONCHDILATORS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1997-03-25 | — | — | US | disclosed |
| US-5496928-A | Endothelin antagonistic substance | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-03-05 | — | — | US | disclosed |
| EP-0555537-A2 | Endothelin antagonistic substance | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1993-08-18 | — | — | EP | disclosed |