Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12031732 | 0.81 | TDP1 (0.71) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| SCHEMBL30992187 | 0.80 | KMT2A (0.69) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| SCHEMBL17769232 | 0.80 | KMT2A (0.69) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| SCHEMBL312287 | 0.79 | KMT2A (0.92) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| SCHEMBL9329147 | 0.79 | KMT2A (0.67) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| SCHEMBL5070331 | 0.77 | CYP3A4 (0.50) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| SCHEMBL15614364 | 0.77 | KMT2A (0.69) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| Benzyl Benzoate SCHEMBL17800103 | 0.77 | KMT2A (0.74) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| SCHEMBL3239314 | 0.77 | OPRD1 (0.48) | KMT2ATDP1MAPTALDH1A1RAB9A | |
| Benzyl Benzoate SCHEMBL28164571 | 0.76 | KMT2A (0.79) | KMT2ATDP1SLC6A2SLC6A3LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998016830-A9 | DROPLET ASSAY SYSTEM | — | 1998-08-13 | — | — | WO | disclosed |
| WO-1998016830-A2 | DROPLET ASSAY SYSTEM | THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1998-04-23 | — | — | WO | disclosed |