Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F13A1 | P00488 | 1/20 | 0.59 |
| ▸ | TGM2 | P21980 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GEMIN4 | P57678 | 1/20 | 0.43 |
| ▸ | HSF1 | Q00613 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19418040 | 0.84 | F13A1 (0.74) | F13A1TGM2MAPTGEMIN4HSF1 | |
| SCHEMBL19418496 | 0.84 | F13A1 (0.74) | F13A1TGM2MAPTGEMIN4HSF1 | |
| SCHEMBL10150044 | 0.83 | F13A1 (0.54) | F13A1TGM2MAPTGEMIN4HSF1 | |
| SCHEMBL14293427 | 0.83 | F13A1 (0.52) | F13A1TGM2MAPTGEMIN4HSF1 | |
| SCHEMBL10150116 | 0.83 | F13A1 (0.52) | F13A1TGM2MAPTGEMIN4HSF1 | |
| SCHEMBL19418471 | 0.76 | F13A1 (0.67) | F13A1TGM2MAPTGEMIN4HSF1 | |
| SCHEMBL29711356 | 0.75 | F13A1 (1.00) | F13A1TGM2MAPTGEMIN4HSF1 | |
| SCHEMBL10150507 | 0.74 | F13A1 (0.77) | F13A1TGM2MAPTGEMIN4HSF1 | |
| SCHEMBL10150038 | 0.74 | F13A1 (0.77) | F13A1TGM2MAPTGEMIN4HSF1 | |
| SCHEMBL10150437 | 0.74 | F13A1 (0.77) | F13A1TGM2MAPTGEMIN4HSF1 |
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 |