Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 10/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 3/20 | 0.34 |
| ▸ | MAP3K5 | Q99683 | 2/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30744831 | 0.86 | TGFBR1 (0.38) | TGFBR1ATRABL1MAPK14DRD4 | |
| SCHEMBL30744730 | 0.78 | CCR1 (0.41) | TGFBR1ATRDRD4HTR1ADRD2 | |
| SCHEMBL22325063 | 0.76 | GAA (0.38) | ABL1KDM5BCYP4F2CYP4A11 | |
| SCHEMBL30099354 | 0.75 | TGFBR1 (0.52) | TGFBR1ABL1MAPK14KDRRIPK2 | |
| SCHEMBL30099359 | 0.75 | TGFBR1 (0.45) | TGFBR1ATRABL1MAPK14KDR | |
| SCHEMBL20893676 | 0.74 | ATR (0.41) | TGFBR1ATRDRD4HTR1ADRD2 | |
| SCHEMBL23389890 | 0.74 | TGFBR1 (0.39) | TGFBR1ATRABL1MAPK14KDR | |
| SCHEMBL29796700 | 0.74 | TGFBR1 (0.39) | TGFBR1ATRABL1MAPK14KDR | |
| SCHEMBL23389924 | 0.73 | TGFBR1 (0.46) | TGFBR1ATRABL1MAPK14KDR | |
| SCHEMBL29796515 | 0.73 | TGFBR1 (0.46) | TGFBR1ATRABL1MAPK14KDR |
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-2022251359-A1 | BICYCLIC INHIBITORS OF ALK5 AND METHODS OF USE | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2022-12-01 | — | — | WO | disclosed |