Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | AXL | P30530 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20405134 | 0.81 | AURKA (0.38) | KMT2AAURKAPARP1FEN1ADORA2A | |
| SCHEMBL22419986 | 0.81 | AURKA (0.38) | KMT2AAURKAPARP1FEN1ADORA2A | |
| SCHEMBL30731128 | 0.77 | KMT2A (0.42) | KMT2AAURKAPARP1FEN1ADORA2A | |
| SCHEMBL16497341 | 0.75 | AURKA (0.41) | KMT2AAURKAPARP1FEN1ADORA2A | |
| SCHEMBL24354877 | 0.73 | AURKA (0.42) | KMT2AAURKAPARP1FEN1ADORA2A | |
| SCHEMBL1714222 | 0.73 | KMT2A (0.47) | KMT2AAURKAPARP1FEN1ADORA2A | |
| SCHEMBL2345339 | 0.73 | KMT2A (0.47) | KMT2AAURKAPARP1FEN1ADORA2A | |
| SCHEMBL29955300 | 0.73 | KMT2A (0.44) | KMT2AAURKAPARP1FEN1ADORA2A | |
| SCHEMBL29952292 | 0.73 | ADORA2A (0.50) | KMT2AAURKAPARP1FEN1ADORA2A | |
| SCHEMBL3260360 | 0.72 | MAP2K1 (0.49) | KMT2AAURKAPARP1FEN1MAPT |
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-2010005528-A2 | PYRROLOPYRIDINE CARBOXYLIC ACID DERIVATIVES | IRONWOOD PHARMACEUTICALS INCORPORATED (US) | 2010-01-14 | — | — | WO | disclosed |