Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.34 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HAO1 | Q9UJM8 | 4/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1077244 | 0.91 | KDM4E (0.43) | ALDH1A1KDM4EHPGDLMNAADAMTS4 | |
| SCHEMBL1077793 | 0.88 | GCK (0.38) | ALDH1A1KDM4EHPGDLMNAP2RX3 | |
| SCHEMBL1074472 | 0.88 | ALDH1A1 (0.39) | ALDH1A1KDM4EHPGDLMNAMMP2 | |
| SCHEMBL1075943 | 0.87 | ADAMTS4 (0.36) | ALDH1A1KDM4EHPGDLMNAADAMTS4 | |
| SCHEMBL13665672 | 0.85 | KMT2A (0.43) | ALDH1A1KDM4EHPGDLMNAHAO1 | |
| SCHEMBL1075263 | 0.84 | GCK (0.38) | ALDH1A1KDM4EHPGDLMNAADAMTS4 | |
| SCHEMBL563581 | 0.83 | GCK (0.39) | DGAT1SCN9A | |
| SCHEMBL1077370 | 0.82 | XDH (0.43) | ALDH1A1LMNAADAMTS4MMP1MMP2 | |
| SCHEMBL1077264 | 0.82 | KCNH2 (0.37) | ALDH1A1KDM4EHPGDLMNAHTT | |
| SCHEMBL1077179 | 0.80 | GCK (0.37) | ALDH1A1P2RX3 |
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-2009125873-A1 | FUSED RING COMPOUNDS AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-15 | — | — | WO | disclosed |