Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | PPID | Q08752 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | TOP2A | P11388 | 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 | |
|---|---|---|---|---|
| SCHEMBL2915807 | 1.00 | TSHR (0.41) | TSHRALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL9347640 | 0.96 | TSHR (0.44) | TSHRALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL23529640 | 0.90 | TSHR (0.41) | TSHRALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL29772371 | 0.90 | TSHR (0.41) | TSHRALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL12787296 | 0.87 | TSHR (0.38) | TSHRALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL9689889 | 0.87 | TSHR (0.43) | TSHRALDH1A1MMP8PIN1MEN1 | |
| SCHEMBL12268284 | 0.87 | MAPT (0.39) | TSHRALDH1A1HTT | |
| SCHEMBL29925577 | 0.87 | TSHR (0.43) | TSHRALDH1A1MMP8PIN1MEN1 | |
| SCHEMBL29198555 | 0.87 | TSHR (0.43) | TSHRALDH1A1MMP8PIN1MEN1 | |
| SCHEMBL12787298 | 0.86 | TSHR (0.39) | TSHRALDH1A1CYP3A4CYP2D6CYP2C19 |
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-2223909-A1 | Process for preparing pentanoic diacid derivatives | Ratiopharm GmbH (DE) | 2010-09-01 | — | — | EP | disclosed |
| EP-2181089-A2 | PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES | Ratiopharm GmbH (DE) | 2010-05-05 | — | — | EP | disclosed |
| WO-2009027081-A2 | PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES | RATIOPHARM GMBH (DE) | 2009-03-05 | — | — | WO | disclosed |