Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.47 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | BCL2 | P10415 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL146769 | 1.00 | IDH1 (0.47) | IDH1CALM1HTR2ABCL2BCL2L1 | |
| SCHEMBL29532678 | 1.00 | IDH1 (0.47) | IDH1CALM1HTR2ABCL2BCL2L1 | |
| SCHEMBL27213651 | 0.96 | IDH1 (0.45) | IDH1CALM1HTR2ABCL2BCL2L1 | |
| SCHEMBL28002608 | 0.90 | IDH1 (0.47) | IDH1CALM1HTR2ABCL2BCL2L1 | |
| SCHEMBL7918609 | 0.89 | CALM1 (0.52) | IDH1CALM1BCL2BCL2L1CYP3A4 | |
| SCHEMBL3000166 | 0.88 | HTR2A (0.44) | IDH1CALM1HTR2ACYP3A4CYP2D6 | |
| SCHEMBL605449 | 0.88 | HTR2A (0.48) | IDH1CALM1HTR2ABCL2BCL2L1 | |
| SCHEMBL9746190 | 0.88 | TP53 (0.44) | IDH1CALM1HTR2ABCL2BCL2L1 | |
| SCHEMBL7735333 | 0.86 | CALM1 (0.55) | CALM1HTR2ABCL2BCL2L1CYP3A4 | |
| SCHEMBL9063880 | 0.85 | IDH1 (0.46) | IDH1CALM1HTR2ABCL2BCL2L1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0277331-B1 | LIQUID SOLVENT-FREE OR POOR-IN-SOLVENT CURABLE POLYURETHANE-BITUMEN-PLASTICIZER ONE COMPONENT COMPOSITION, PROCESS FOR ITS PREPARATION AND ITS USE | LUCKE, Heinz (DE) | 1992-09-09 | — | — | EP | disclosed |
| EP-0277331-A1 | Liquid solvent-free or poor-in-solvent curable polyurethane-bitumen-plasticizer one component composition, process for its preparation and its use | LUCKE, Heinz (DE) | 1988-08-10 | — | — | EP | disclosed |