Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 5/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.46 |
| ▸ | FEN1 | P39748 | 3/20 | 0.46 |
| ▸ | CA6 | P23280 | 3/20 | 0.45 |
| ▸ | CA4 | P22748 | 2/20 | 0.45 |
| ▸ | CA5A | P35218 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | F10 | P00742 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29442129 | 1.00 | LRRK2 (0.49) | LRRK2CA2CA1CA12CA9 | |
| SCHEMBL8350056 | 0.86 | CA1 (0.54) | CA2CA1CA12CA9CA14 | |
| SCHEMBL48885 | 0.84 | CA2 (0.52) | CA2CA1CA12CA9CA14 | |
| Hydrochloric Acid SCHEMBL6399557 | 0.82 | CA2 (0.50) | CA2CA1CA12CA9CA14 | |
| Methane SCHEMBL27503773 | 0.82 | CA2 (0.50) | CA2CA1CA12CA9CA14 | |
| SCHEMBL8630958 | 0.82 | LRRK2 (0.48) | LRRK2CA2CA1ADORA2AADORA1 | |
| SCHEMBL7414818 | 0.81 | ALDH1A1 (0.47) | NPC1ALDH1A1TP53MAPTRAB9A | |
| SCHEMBL22534535 | 0.81 | ALDH1A1 (0.47) | NPC1ALDH1A1TP53MAPTRAB9A | |
| SCHEMBL5488230 | 0.80 | CA2 (0.56) | CA2CA1CA12CA9ALOX5AP | |
| SCHEMBL16177854 | 0.80 | ALOX5AP (0.48) | CA2CA1CA12CA9CA14 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2512242-A1 | NOVEL COMPOUNDS | Glaxo Wellcome Manufacturing Pte Ltd (SG) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011075559-A1 | NOVEL COMPOUNDS | GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) | 2011-06-23 | — | — | WO | disclosed |
| EP-1599477-A1 | SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-11-30 | — | — | EP | disclosed |
| WO-2004074288-A1 | SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-02 | — | — | WO | disclosed |