Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F13A1 | P00488 | 1/20 | 0.45 |
| ▸ | TGM2 | P21980 | 1/20 | 0.45 |
| ▸ | GEMIN4 | P57678 | 1/20 | 0.40 |
| ▸ | HSF1 | Q00613 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 6/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.33 |
| ▸ | CDK2 | P24941 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10150176 | 0.87 | F13A1 (0.58) | F13A1TGM2GEMIN4HSF1NPC1 | |
| SCHEMBL17787723 | 0.85 | F13A1 (0.45) | F13A1TGM2GEMIN4HSF1NPC1 | |
| SCHEMBL13770495 | 0.81 | F13A1 (0.45) | F13A1TGM2GEMIN4HSF1NPC1 | |
| SCHEMBL19418511 | 0.80 | F13A1 (0.42) | F13A1TGM2GEMIN4HSF1NPC1 | |
| SCHEMBL19418461 | 0.80 | HSP90AB1 (0.52) | MAPTRAB9ANPSR1HSP90AB1GAA | |
| SCHEMBL19418059 | 0.80 | F13A1 (0.50) | F13A1TGM2GEMIN4HSF1NPC1 | |
| SCHEMBL19418440 | 0.76 | F13A1 (0.41) | F13A1TGM2GEMIN4HSF1NPC1 | |
| SCHEMBL12253173 | 0.74 | F13A1 (0.39) | F13A1TGM2GEMIN4HSF1NPC1 | |
| SCHEMBL12253182 | 0.73 | F13A1 (0.38) | F13A1TGM2GEMIN4HSF1NPC1 | |
| SCHEMBL13050578 | 0.73 | F13A1 (0.38) | F13A1TGM2GEMIN4HSF1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2136799-B1 | MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 | UNIV STRASBOURG (FR) | 2017-10-04 | — | — | EP | disclosed |