Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | MMP16 | P51512 | 1/20 | 0.40 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6428040 | 0.83 | CA2 (0.44) | CA1CA2CA9CA12CA14 | |
| SCHEMBL30988956 | 0.83 | CA2 (0.50) | CA1CA2CA9CA12CA14 | |
| SCHEMBL407413 | 0.83 | CA2 (0.50) | CA1CA2CA9CA12CA14 | |
| Methane SCHEMBL28850761 | 0.81 | CA2 (0.49) | CA1CA2CA9CA12CA14 | |
| Hydrochloric Acid SCHEMBL3517386 | 0.81 | CA1 (0.49) | CA1CA2CA9CA12CA14 | |
| SCHEMBL17258810 | 0.81 | TAAR1 (0.42) | CA1CA2CA9CA12CA14 | |
| SCHEMBL27895889 | 0.80 | CA2 (0.52) | CA1CA2CA9CA12CA14 | |
| SCHEMBL4183580 | 0.80 | CA1 (0.45) | CA1CA2CA9CA12CA14 | |
| SCHEMBL6121437 | 0.80 | CA1 (0.45) | CA1CA2CA9CA12CA14 | |
| SCHEMBL27876215 | 0.78 | STAT3 (0.43) | CA1CA2CA9CA12CA14 |
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-2104677-A1 | SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-09-30 | — | — | EP | disclosed |
| WO-2008084005-A1 | SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-07-17 | — | — | WO | disclosed |