Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | P2RX1 | P51575 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5371578 | 0.90 | CA1 (0.55) | NR1H4CA1CA2KMT2AEGFR | |
| 5-Chlorosalicylic Acid SCHEMBL6514013 | 0.84 | CA1 (0.67) | NR1H4CA1CA2KMT2AEGFR | |
| SCHEMBL7803837 | 0.84 | KMT2A (0.47) | NR1H4KMT2AESR1LMNAHTT | |
| SCHEMBL1300248 | 0.78 | CYP3A4 (0.45) | KMT2ALMNAMAPT | |
| SCHEMBL7803914 | 0.76 | LMNA (0.39) | ARKMT2AKCNMA1LMNAMAPT | |
| SCHEMBL7803918 | 0.76 | LMNA (0.39) | ARKMT2AKCNMA1LMNAMAPT | |
| SCHEMBL7803834 | 0.76 | KMT2A (0.39) | NR1H4ARKMT2AKCNMA1LMNA | |
| SCHEMBL7858859 | 0.76 | ALDH1A1 (0.53) | KMT2ALMNAHTTSMN1; SMN2MAPT | |
| SCHEMBL7803833 | 0.76 | KMT2A (0.38) | ARKMT2ALMNASMN1; SMN2MAPT | |
| SCHEMBL7804525 | 0.76 | LMNA (0.38) | ARKMT2AKCNMA1LMNAMAPT |
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 |