Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL10049944 | 0.73 | PMP22 (0.32) | TP53PMP22 | |
| Lactic Acid SCHEMBL5538629 | 0.69 | TP53 (0.69) | TP53PMP22SLC7A5TSHR | |
| SCHEMBL31247439 | 0.69 | — | — | |
| SCHEMBL12239 | 0.69 | — | — | |
| SCHEMBL18254275 | 0.69 | — | — | |
| SCHEMBL18254276 | 0.69 | — | — | |
| Lactic Acid SCHEMBL28085884 | 0.67 | TP53 (0.65) | TP53PMP22SLC7A5TSHR | |
| Lactic Acid SCHEMBL28146883 | 0.67 | TP53 (0.65) | TP53PMP22SLC7A5TSHR | |
| SCHEMBL756112 | 0.66 | — | — | |
| Lactic Acid SCHEMBL22341770 | 0.66 | — | — |
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-2005023792-A2 | MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | EISAI CO. LTD. (JP) | 2005-03-17 | — | — | WO | disclosed |