Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL158329 | 0.87 | — | — | |
| SCHEMBL27982838 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| Lithium Ion SCHEMBL27982839 | 0.82 | ALDH1A1 (0.46) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL10144207 | 0.77 | DPP4 (0.49) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL10130976 | 0.74 | ALDH1A1 (0.42) | ALDH1A1MAPTHPGDADRA1DADRA1A | |
| SCHEMBL1418985 | 0.72 | ALDH1A1 (0.47) | ALDH1A1MAPK1MAPTMEN1KMT2A | |
| SCHEMBL16901817 | 0.71 | ALDH1A1 (0.40) | ALDH1A1ADRA1DADRA1AADRA1B | |
| SCHEMBL29020313 | 0.71 | ALDH1A1 (0.44) | ALDH1A1MAPTMEN1KMT2AHPGD | |
| SCHEMBL10684074 | 0.69 | ALDH1A1 (0.49) | ALDH1A1MAPTMEN1KMT2AHPGD | |
| SCHEMBL21654363 | 0.69 | ALDH1A1 (0.41) | ALDH1A1MAPK1MAPTMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0760812-A1 | PHARMACEUTICAL DIKETOPIPERAZINE COMPOUNDS | XENOVA LIMITED (GB) | 1997-03-12 | — | — | EP | disclosed |
| WO-1995032190-A2 | PHARMACEUTICAL DIKETOPIPERAZINE COMPOUNDS | XENOVA LIMITED (GB) | 1995-11-30 | — | — | WO | disclosed |