Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 13/20 | 0.55 |
| ▸ | CA1 | P00915 | 10/20 | 0.55 |
| ▸ | CA12 | O43570 | 9/20 | 0.55 |
| ▸ | CA9 | Q16790 | 9/20 | 0.55 |
| ▸ | CA4 | P22748 | 7/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 7/20 | 0.53 |
| ▸ | CA6 | P23280 | 6/20 | 0.53 |
| ▸ | CA5A | P35218 | 6/20 | 0.53 |
| ▸ | CA7 | P43166 | 6/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 6/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8758989 | 0.85 | CA2 (0.52) | CA2CA1CA12CA9CA4 | |
| SCHEMBL2224639 | 0.81 | CA2 (0.60) | CA2CA1CA12CA9CA4 | |
| SCHEMBL1803088 | 0.81 | CA2 (0.55) | CA2CA1CA12CA9CA4 | |
| SCHEMBL24517597 | 0.79 | CA2 (0.61) | CA2CA1CA12CA9CA4 | |
| SCHEMBL1808719 | 0.77 | SLC6A4 (0.59) | CA2CA1CA12CA9CA4 | |
| SCHEMBL1911572 | 0.74 | PKM (0.87) | CA2CA1CA12CA9CA4 | |
| SCHEMBL29828429 | 0.74 | PKM (0.87) | CA2CA1CA12CA9CA4 | |
| SCHEMBL1186046 | 0.74 | CA2 (0.70) | CA2CA1CA12CA9CA4 | |
| SCHEMBL9978270 | 0.73 | CA2 (0.46) | CA2CA1CA12CA9CA4 | |
| SCHEMBL11516151 | 0.72 | GAA (0.50) | CA2CA1CA12CA9CA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2523559-A1 | COMPOUNDS AND METHODS | GlaxoSmithKline LLC (US) | 2012-11-21 | — | — | EP | disclosed |
| WO-2011088027-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2011-07-21 | — | — | WO | disclosed |