Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PNP | P00491 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL8884657 | 0.86 | PNP (0.51) | ALDH1A1KDM4EHSD17B10GAAPNP | |
| SCHEMBL9845196 | 0.84 | ALDH1A1 (0.50) | ALDH1A1KDM4EGAAPNPKMT2A | |
| SCHEMBL9845193 | 0.82 | GAA (0.59) | ALDH1A1KDM4EHSD17B10GAAPNP | |
| SCHEMBL27277482 | 0.81 | ALDH1A1 (0.52) | ALDH1A1KDM4EHSD17B10GAAPNP | |
| SCHEMBL3141045 | 0.81 | KMT2A (0.43) | ALDH1A1KDM4EHSD17B10GAAPNP | |
| SCHEMBL7419700 | 0.80 | ALDH1A1 (0.46) | ALDH1A1KDM4EGAAPNPKMT2A | |
| SCHEMBL7367989 | 0.76 | ALDH1A1 (0.46) | ALDH1A1KDM4EHSD17B10GAAKMT2A | |
| SCHEMBL15290224 | 0.76 | ALDH1A1 (0.56) | ALDH1A1KDM4EHSD17B10GAAPNP | |
| SCHEMBL7958461 | 0.75 | ALDH1A1 (0.52) | ALDH1A1HSD17B10KMT2AMEN1TSHR | |
| SCHEMBL4622185 | 0.72 | PNP (0.49) | ALDH1A1KDM4EHSD17B10GAAPNP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0799040-A4 | TRISUBSTITUTED THIOXANTHINES | EURO CELTIQUE SA (LU) | 1998-04-01 | — | — | EP | disclosed |
| EP-0799040-A1 | TRISUBSTITUTED THIOXANTHINES | Euroceltique S.A. (LU) | 1997-10-08 | — | — | EP | disclosed |
| WO-1996018400-A1 | TRISUBSTITUTED THIOXANTHINES | EURO-CELTIQUE, S.A. (LU) | 1996-06-20 | — | — | WO | disclosed |