Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6695768 | 0.88 | CYP2D6 (0.54) | CYP2D6CYP3A4TSHRALDH1A1USP2 | |
| SCHEMBL6688048 | 0.86 | PARP1 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6927396 | 0.84 | PARP1 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15271489 | 0.83 | CA12 (0.64) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6930889 | 0.82 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2377015 | 0.80 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6692750 | 0.80 | CNR2 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6688415 | 0.80 | CNR2 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1877596 | 0.80 | KDM4E (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14204979 | 0.80 | CA12 (0.55) | CA12CA1CA2CA7CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004074438-A2 | CCR8 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-09-02 | — | — | WO | disclosed |