Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F13A1 | P00488 | 1/20 | 0.57 |
| ▸ | TGM2 | P21980 | 1/20 | 0.57 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.48 |
| ▸ | GEMIN4 | P57678 | 1/20 | 0.42 |
| ▸ | HSF1 | Q00613 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 6/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.37 |
| ▸ | CDK2 | P24941 | 3/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.37 |
| ▸ | PLK4 | O00444 | 2/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | AXL | P30530 | 2/20 | 0.37 |
| ▸ | FLT3 | P36888 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19417981 | 1.00 | F13A1 (0.57) | F13A1TGM2HSP90AB1GEMIN4HSF1 | |
| SCHEMBL13983581 | 1.00 | F13A1 (0.57) | F13A1TGM2HSP90AB1GEMIN4HSF1 | |
| SCHEMBL10150176 | 0.83 | F13A1 (0.58) | F13A1TGM2HSP90AB1GEMIN4HSF1 | |
| Monocillin Iii SCHEMBL10150122 | 0.82 | HSP90AB1 (0.71) | F13A1TGM2HSP90AB1GEMIN4HSF1 | |
| Monocillin Iii SCHEMBL10150121 | 0.82 | HSP90AB1 (0.71) | F13A1TGM2HSP90AB1GEMIN4HSF1 | |
| Monocillin Iii SCHEMBL10150575 | 0.82 | HSP90AB1 (0.71) | F13A1TGM2HSP90AB1GEMIN4HSF1 | |
| SCHEMBL19418358 | 0.82 | HSP90AB1 (0.71) | F13A1TGM2HSP90AB1MAPTRAB9A | |
| SCHEMBL19418471 | 0.82 | F13A1 (0.67) | F13A1TGM2HSP90AB1GEMIN4HSF1 | |
| SCHEMBL10150149 | 0.80 | F13A1 (0.59) | F13A1TGM2HSP90AB1GEMIN4HSF1 | |
| SCHEMBL10150851 | 0.80 | F13A1 (0.59) | F13A1TGM2HSP90AB1GEMIN4HSF1 |
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 |