Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | ESRRA | P11474 | 1/20 | 0.41 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL355700 | 0.85 | HSP90AA1 (0.67) | HSP90AA1HSP90AB1PDK1ERN1ALDH1A1 | |
| SCHEMBL2649151 | 0.82 | TSHR (0.53) | HSP90AA1HSP90AB1MAPTALDH1A1HPGD | |
| SCHEMBL6511037 | 0.79 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1PDK1MAPTERN1 | |
| SCHEMBL2649764 | 0.72 | TTR (0.48) | MAPTHPGDSMN1; SMN2KMT2A | |
| SCHEMBL767829 | 0.72 | KMT2A (0.54) | HSP90AA1HSP90AB1MAPTKMT2A | |
| SCHEMBL198849 | 0.72 | CA1 (0.69) | HSP90AA1HSP90AB1PDK1MAPTERN1 | |
| SCHEMBL30153190 | 0.72 | CA1 (0.69) | HSP90AA1HSP90AB1PDK1MAPTERN1 | |
| SCHEMBL14531511 | 0.72 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1MAPTALDH1A1HPGD | |
| SCHEMBL16741192 | 0.71 | TDP1 (0.60) | SLC6A2SLC6A4SLC6A3MAPTSMN1; SMN2 | |
| SCHEMBL8756187 | 0.70 | ESR1 (0.47) | HSP90AA1HSP90AB1MAPTSMN1; SMN2KMT2A |
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-2005023762-A1 | PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) | ABBOTT LABORATORIES (US) | 2005-03-17 | — | — | WO | disclosed |