Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16464368 | 0.87 | ALDH1A1 (0.48) | KDM4EALDH1A1HTTGAAHSD17B10 | |
| SCHEMBL7976276 | 0.85 | KDM4E (0.46) | MAP2K1KDM4EALDH1A1HTTGAA | |
| SCHEMBL16497245 | 0.85 | MAP2K1 (0.51) | MAP2K1KDM4EALDH1A1HTTGAA | |
| SCHEMBL7977830 | 0.84 | ALDH1A1 (0.59) | MAP2K1KDM4EALDH1A1HTTGAA | |
| SCHEMBL28839540 | 0.83 | MAP2K1 (0.52) | MAP2K1KDM4EALDH1A1HTTGAA | |
| SCHEMBL1879902 | 0.83 | MAP2K1 (0.52) | MAP2K1KDM4EALDH1A1HTTGAA | |
| SCHEMBL16496843 | 0.83 | MAP2K1 (0.52) | MAP2K1KDM4EALDH1A1HTTGAA | |
| SCHEMBL7977591 | 0.83 | MAP2K1 (0.52) | MAP2K1KDM4EALDH1A1HTTGAA | |
| SCHEMBL7990805 | 0.81 | MAP2K1 (0.50) | MAP2K1KDM4EALDH1A1HTTGAA | |
| SCHEMBL24483472 | 0.80 | MAP2K1 (0.49) | MAP2K1KDM4EALDH1A1HTTGAA |
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 |