Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.55 |
| ▸ | CA1 | P00915 | 8/20 | 0.55 |
| ▸ | CA9 | Q16790 | 8/20 | 0.55 |
| ▸ | CA12 | O43570 | 7/20 | 0.55 |
| ▸ | BRD4 | O60885 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.45 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.45 |
| ▸ | IKBKB | O14920 | 2/20 | 0.45 |
| ▸ | CHUK | O15111 | 1/20 | 0.45 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 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 | |
|---|---|---|---|---|
| SCHEMBL962658 | 0.88 | CA1 (0.67) | CA2CA1CA9CA12BRD4 | |
| SCHEMBL4073858 | 0.83 | CA2 (0.74) | CA2CA1CA9CA12CA4 | |
| SCHEMBL4733938 | 0.79 | CA2 (0.64) | CA2CA1CA9CA12BRD4 | |
| SCHEMBL15730257 | 0.78 | IKBKB (0.52) | CA2CA1CA9CA12BRD4 | |
| SCHEMBL16574040 | 0.76 | CA2 (0.52) | CA2CA1CA9CA12BRD4 | |
| SCHEMBL4135236 | 0.76 | IKBKB (0.51) | CA2CA1CA9CA12BRD4 | |
| SCHEMBL2308295 | 0.76 | CA2 (0.56) | CA2CA1CA9CA12BRD4 | |
| SCHEMBL28032548 | 0.76 | CA2 (0.73) | CA2CA1CA9CA12CA4 | |
| SCHEMBL30494473 | 0.75 | PTGES2 (0.68) | CA2CA1CA9CA12BRD4 | |
| SCHEMBL26462963 | 0.75 | PTGES2 (0.68) | CA2CA1CA9CA12BRD4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108884068-A | 1- cyano-pyrolidin derivative as DUB inhibitor | 特殊治疗有限公司 | 2018-11-23 | — | — | CN | disclosed |
| EP-2121621-A1 | LXR AND FXR MODULATORS | Exelixis, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008073825-A1 | LXR AND FXR MODULATORS | EXELIXIS, INC. (US) | 2008-06-19 | — | — | WO | disclosed |