Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.67 |
| ▸ | CA2 | P00918 | 2/20 | 0.67 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
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 | 0.94 | CA1 (0.55) | CA1CA2EGFRPKMSMN1; SMN2 | |
| SCHEMBL27755305 | 0.86 | ALDH1A1 (0.50) | CA1CA2TP53ALDH1A1PKM | |
| Ethane SCHEMBL4640067 | 0.84 | ALDH1A1 (0.49) | CA1CA2TP53ALDH1A1PKM | |
| SCHEMBL6514020 | 0.84 | NR1H4 (0.45) | CA1CA2EGFRSMN1; SMN2LMNA | |
| SCHEMBL21383209 | 0.82 | EGFR (0.46) | CA1CA2EGFRALDH1A1PKM | |
| 5-Chlorosalicylic Acid SCHEMBL28240558 | 0.82 | CA1 (0.92) | CA1CA2TP53ALDH1A1PKM | |
| 5-Chlorosalicylic Acid SCHEMBL29499764 | 0.82 | CA1 (1.00) | CA1CA2TP53ALDH1A1PKM | |
| 5-Chlorosalicylic Acid SCHEMBL130605 | 0.82 | CA1 (1.00) | CA1CA2TP53ALDH1A1PKM | |
| 5-Chlorosalicylic Acid SCHEMBL6855770 | 0.80 | CA1 (0.96) | CA1CA2TP53ALDH1A1PKM | |
| 5-Chlorosalicylic Acid SCHEMBL11158036 | 0.80 | CA1 (0.96) | CA1CA2TP53ALDH1A1PKM |
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 |