Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.55 |
| ▸ | CA2 | P00918 | 5/20 | 0.55 |
| ▸ | CA9 | Q16790 | 4/20 | 0.55 |
| ▸ | CA12 | O43570 | 3/20 | 0.55 |
| ▸ | CA4 | P22748 | 3/20 | 0.55 |
| ▸ | CA6 | P23280 | 3/20 | 0.55 |
| ▸ | CA5A | P35218 | 3/20 | 0.55 |
| ▸ | CA7 | P43166 | 3/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | KIF11 | P52732 | 2/20 | 0.47 |
| ▸ | SLC40A1 | Q9NP59 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.45 |
| ▸ | FEN1 | P39748 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30137559 | 1.00 | CA1 (0.55) | CA1CA2CA9CA12CA4 | |
| SCHEMBL5357312 | 0.85 | CA1 (0.55) | CA1CA2CA9CA12CA4 | |
| SCHEMBL19019674 | 0.83 | ALDH1A1 (0.51) | CA1CA2CA9CA12CA4 | |
| SCHEMBL4306864 | 0.83 | ALDH1A1 (0.51) | CA1CA2CA9CA12CA4 | |
| SCHEMBL2183059 | 0.81 | KIF11 (0.47) | CA1CA2CA9CA12CA4 | |
| SCHEMBL29458370 | 0.81 | PDIA6 (0.49) | CA1CA2CA9CA12CA4 | |
| SCHEMBL6191403 | 0.81 | PDIA6 (0.49) | CA1CA2CA9CA12CA4 | |
| SCHEMBL30918492 | 0.81 | KIF11 (0.47) | CA1CA2CA9CA12CA4 | |
| SCHEMBL9048102 | 0.81 | CA1 (0.55) | CA1CA2CA9CA12CA4 | |
| SCHEMBL4991537 | 0.80 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDHSD17B10SLC40A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004052313-A2 | ANTI-INFECTIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2004-06-24 | — | — | WO | disclosed |
| US-6242443-B1 | 1,2,4-benzothiadiazine derivatives, their preparation and use | NOVO NORDISK AIS (DK) | 2001-06-05 | — | — | US | disclosed |