Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PNP | P00491 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.31 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3489068 | 0.86 | PNP (0.44) | ALDH1A1GAAKMT2APNPCCNE2 | |
| SCHEMBL27277482 | 0.83 | ALDH1A1 (0.52) | ALDH1A1GAAKMT2APNPKDM4E | |
| SCHEMBL9845196 | 0.80 | ALDH1A1 (0.50) | ALDH1A1GAAKMT2APNPKDM4E | |
| SCHEMBL7416953 | 0.80 | ALDH1A1 (0.47) | ALDH1A1GAAKMT2APNPKDM4E | |
| SCHEMBL9845193 | 0.78 | GAA (0.59) | ALDH1A1GAAKMT2APNPKDM4E | |
| SCHEMBL295964 | 0.76 | KDM4E (0.42) | ALDH1A1GAAKMT2AKDM4E | |
| SCHEMBL7958461 | 0.74 | ALDH1A1 (0.52) | ALDH1A1KMT2ACCNE1CDK2 | |
| SCHEMBL60160 | 0.73 | PNP (0.47) | ALDH1A1KMT2APNPKDM4ECCNE1 | |
| SCHEMBL15290224 | 0.71 | ALDH1A1 (0.56) | ALDH1A1GAAKMT2APNPKDM4E | |
| SCHEMBL27627950 | 0.71 | ALDH1A1 (0.60) | ALDH1A1GAAKMT2APNPKDM4E |
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 |