Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | LIG1 | P18858 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | PTPRF | P10586 | 1/20 | 0.37 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28885346 | 0.82 | KDM1A (0.41) | TSHRLMNAALDH1A1CYP3A4LIG1 | |
| SCHEMBL8031930 | 0.81 | KDM1A (0.44) | TSHRLMNAALDH1A1CYP3A4LIG1 | |
| SCHEMBL8036140 | 0.79 | KDM1A (0.46) | TSHRLMNAALDH1A1CYP3A4LIG1 | |
| SCHEMBL12383191 | 0.79 | KDM1A (0.46) | TSHRLMNAALDH1A1CYP3A4LIG1 | |
| SCHEMBL8039426 | 0.79 | KDM1A (0.46) | TSHRLMNAALDH1A1CYP3A4LIG1 | |
| Hydrochloric Acid SCHEMBL2072194 | 0.78 | KDM1A (0.49) | TSHRLMNAALDH1A1CYP3A4LIG1 | |
| Hydrochloric Acid SCHEMBL2072193 | 0.78 | KDM1A (0.49) | TSHRLMNAALDH1A1CYP3A4LIG1 | |
| SCHEMBL2074640 | 0.78 | MAPT (0.40) | TSHRLMNAALDH1A1CYP3A4LIG1 | |
| SCHEMBL12860010 | 0.75 | GAA (0.37) | TSHRLMNAALDH1A1CYP3A4LIG1 | |
| SCHEMBL30529067 | 0.72 | SLC6A4 (0.39) | TSHRLMNAALDH1A1CYP3A4LIG1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009074829-A1 | PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS | ASTRAZENECA AB (SE) | 2009-06-18 | — | — | WO | disclosed |