Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.39 |
| ▸ | PKLR | P30613 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | PTGES2 | Q9H7Z7 | 3/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | HTR5A | P47898 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2238428 | 0.80 | ACLY (0.38) | PTGS2PTGS1ALDH1A1HSD17B10TDP1 | |
| SCHEMBL532887 | 0.80 | PKM (0.50) | PKMPKLRPTGES2CES2BCHE | |
| SCHEMBL30986771 | 0.78 | CA1 (0.39) | PKMPKLRCA1CA2CA7 | |
| SCHEMBL3523738 | 0.78 | CA1 (0.39) | PKMPKLRCA1CA2CA7 | |
| SCHEMBL31454807 | 0.72 | PKM (0.35) | PKMPKLRCA1CA2CA7 | |
| SCHEMBL4537200 | 0.72 | PKM (0.48) | PKMPKLRALDH1A1TDP1 | |
| SCHEMBL19858507 | 0.71 | PKM (0.42) | PKMPKLRCA1CA2CA9 | |
| SCHEMBL22146034 | 0.71 | PTGS2 (0.34) | PKMPKLRCA1CA2CA7 | |
| SCHEMBL20560224 | 0.71 | PKM (0.42) | PKMPKLRPTGES2CES2CES1 | |
| SCHEMBL29764209 | 0.71 | ACHE (0.44) | PKMPKLRALDH1A1HSD17B10TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997046207-A2 | AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS | CORVAS INTERNATIONAL, INC. (US) | 1997-12-11 | — | — | WO | disclosed |
| EP-0804464-A1 | AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS | CORVAS INTERNATIONAL, INC. (US) | 1997-11-05 | — | — | EP | disclosed |
| WO-1996018644-A1 | AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS | CORVAS INTERNATIONAL, INC. (US) | 1996-06-20 | — | — | WO | disclosed |