Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA3 | P07451 | 2/20 | 0.51 |
| ▸ | CA4 | P22748 | 2/20 | 0.51 |
| ▸ | CA6 | P23280 | 2/20 | 0.51 |
| ▸ | CA7 | P43166 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.51 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.51 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.49 |
| ▸ | TP53 | P04637 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 7/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3860957 | 0.95 | EPHX2 (0.45) | CA12CA1CA2CA3CA4 | |
| SCHEMBL3523355 | 0.90 | EPHX2 (0.59) | CA12CA1CA2CA3CA4 | |
| SCHEMBL13544679 | 0.88 | TP53 (0.51) | CA12CA1CA2CA3CA4 | |
| SCHEMBL3523737 | 0.84 | EPHX2 (0.53) | CA12CA1CA2CA3CA4 | |
| SCHEMBL13544669 | 0.83 | TP53 (0.45) | MAPTTP53ALDH1A1L3MBTL1LMNA | |
| SCHEMBL3530828 | 0.82 | KMT2A (0.45) | EPHX2MAPTTP53LMNAMEN1 | |
| SCHEMBL13542970 | 0.81 | KMT2A (0.43) | MAPTTP53ALDH1A1L3MBTL1LMNA | |
| SCHEMBL13687225 | 0.81 | HPGD (0.45) | MAPTTP53ALDH1A1L3MBTL1LMNA | |
| SCHEMBL13684599 | 0.80 | LMNA (0.43) | MAPTTP53ALDH1A1L3MBTL1LMNA | |
| SCHEMBL13542945 | 0.79 | TP53 (0.49) | CA12CA1CA2CA3CA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |