Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 8/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | CCR8 | P51685 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8122697 | 0.80 | CCR1 (0.54) | TGFBR1NOS2CCR1CCR8MAPK14 | |
| SCHEMBL5833033 | 0.78 | KDM4E (0.34) | TGFBR1KDM4ECCR1CCR8MAPK14 | |
| SCHEMBL244011 | 0.74 | CCR1 (0.46) | TGFBR1KDM4ENOS1NOS2IRAK4 | |
| SCHEMBL17039118 | 0.73 | HEXA (0.41) | TGFBR1KDM4ELMNAMAPTPKM | |
| SCHEMBL6696951 | 0.72 | RAB9A (0.49) | KDM4ELMNAMAPTKMT2A | |
| SCHEMBL6584801 | 0.71 | AR (0.34) | TGFBR1KDM4EMAPK14 | |
| SCHEMBL6622613 | 0.71 | MAP3K5 (0.38) | MAPTKMT2ATHRBMAPK14 | |
| SCHEMBL21018312 | 0.70 | CCR1 (0.41) | TGFBR1ADORA2AADORA1CCR1CCR8 | |
| SCHEMBL10304946 | 0.70 | CTSA (0.43) | TGFBR1PDE10A | |
| SCHEMBL16385310 | 0.70 | ALDH1A1 (0.41) | TGFBR1KDM4EIRAK4MAPTPKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0895475-A4 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2000-08-23 | — | — | EP | disclosed |
| EP-0895475-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-02-10 | — | — | EP | disclosed |
| WO-1997024122-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-07-10 | — | — | WO | disclosed |