Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.57 |
| ▸ | CA1 | P00915 | 5/20 | 0.57 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | BIRC2 | Q13490 | 2/20 | 0.40 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31011218 | 1.00 | CA2 (0.57) | CA2CA1ZDHHC7SMN1; SMN2ABCB1 | |
| SCHEMBL4614820 | 1.00 | CA2 (0.57) | CA2CA1ZDHHC7SMN1; SMN2ABCB1 | |
| SCHEMBL19105417 | 0.87 | SMN1; SMN2 (0.48) | CA2CA1ZDHHC7SMN1; SMN2ABCB1 | |
| SCHEMBL28698781 | 0.83 | CA2 (0.57) | CA2CA1ZDHHC7ABCB1BIRC2 | |
| SCHEMBL905459 | 0.83 | CA2 (0.42) | CA2CA1ZDHHC7SLC15A1CYP3A4 | |
| SCHEMBL7507908 | 0.83 | CA2 (0.42) | CA2CA1ZDHHC7SLC15A1CYP3A4 | |
| SCHEMBL9458565 | 0.82 | CA2 (0.55) | CA2CA1ZDHHC7ABCB1BIRC2 | |
| Hydrochloric Acid SCHEMBL28679843 | 0.79 | CA1 (0.52) | CA2CA1ZDHHC7ABCB1BIRC2 | |
| Hydrochloric Acid SCHEMBL28679841 | 0.79 | CA1 (0.52) | CA2CA1ZDHHC7ABCB1BIRC2 | |
| SCHEMBL7947656 | 0.78 | CA1 (0.61) | CA2CA1ZDHHC7ABCB1BIRC2 |
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-2534132-A1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | F. Hoffmann-La Roche AG (CH) | 2012-12-19 | — | — | EP | disclosed |
| WO-2011098398-A1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-08-18 | — | — | WO | disclosed |
| EP-2340021-A1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | F. Hoffmann-La Roche AG (CH) | 2011-07-06 | — | — | EP | disclosed |
| WO-2010031713-A1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-25 | — | — | WO | disclosed |