Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 8/20 | 0.61 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.46 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.46 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.46 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1387663 | 0.98 | S1PR1 (0.63) | S1PR1S1PR3S1PR4S1PR5S1PR2 | |
| SCHEMBL9097562 | 0.87 | S1PR1 (0.50) | S1PR1S1PR3S1PR4S1PR5S1PR2 | |
| SCHEMBL9080067 | 0.77 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2A | |
| SCHEMBL20187534 | 0.76 | CACNA2D1 (0.49) | ALDH1A1 | |
| SCHEMBL177063 | 0.76 | S1PR1 (1.00) | S1PR1S1PR3S1PR4S1PR5ALDH1A1 | |
| SCHEMBL9079952 | 0.75 | MLYCD (0.40) | ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL9169757 | 0.72 | ALDH1A1 (0.60) | S1PR1S1PR3S1PR2ALDH1A1CYSLTR2 | |
| SCHEMBL9972487 | 0.72 | ALDH1A1 (0.60) | S1PR1S1PR3S1PR2ALDH1A1CYSLTR2 | |
| SCHEMBL27145122 | 0.72 | S1PR1 (0.62) | S1PR1S1PR3S1PR4S1PR5S1PR2 | |
| SCHEMBL15505725 | 0.70 | SIGMAR1 (0.57) | S1PR1ALDH1A1 |
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-5573752-A | Aromatic amide compounds and metal chelates thereof | BRACCO INTERNATIONAL B.V. | 1996-11-12 | — | — | US | disclosed |
| WO-1995027705-A1 | AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF | BRACCO INTERNATIONAL B.V. (NL) | 1995-10-19 | — | — | WO | disclosed |