Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 4/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | WDR5 | P61964 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23984644 | 1.00 | KDR (0.36) | KDRSLC6A2SLC6A4SLC6A3CSF1R | |
| SCHEMBL30305562 | 0.95 | KDR (0.36) | KDRSLC6A2SLC6A4SLC6A3CSF1R | |
| SCHEMBL30305451 | 0.95 | KDR (0.36) | KDRSLC6A2SLC6A4SLC6A3CSF1R | |
| SCHEMBL30305516 | 0.95 | KDR (0.36) | KDRSLC6A2SLC6A4SLC6A3CSF1R | |
| SCHEMBL23984567 | 0.95 | KDR (0.36) | KDRSLC6A2SLC6A4SLC6A3CSF1R | |
| SCHEMBL30305561 | 0.95 | KDR (0.36) | KDRSLC6A2SLC6A4SLC6A3CSF1R | |
| SCHEMBL23984566 | 0.95 | KDR (0.36) | KDRSLC6A2SLC6A4SLC6A3CSF1R | |
| SCHEMBL23985000 | 0.95 | KDR (0.36) | KDRSLC6A2SLC6A4SLC6A3CSF1R | |
| SCHEMBL23985535 | 0.92 | SLC6A2 (0.35) | KDRSLC6A2SLC6A4SLC6A3CSF1R | |
| SCHEMBL23985543 | 0.90 | KDR (0.35) | KDRSLC6A2SLC6A4SLC6A3CSF1R |
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-2021222556-A1 | PI3K-α INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2021-11-04 | — | — | WO | disclosed |