Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 4/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8024425 | 0.92 | ALDH1A1 (0.36) | ALDH1A1MAPK1L3MBTL1CA1CA2 | |
| SCHEMBL7737502 | 0.79 | CA1 (0.51) | ALDH1A1MAPK1L3MBTL1CA1CA2 | |
| SCHEMBL5557245 | 0.79 | CA1 (0.51) | ALDH1A1MAPK1L3MBTL1CA1CA2 | |
| SCHEMBL1455947 | 0.78 | ALDH1A1 (0.40) | ALDH1A1MAPK1L3MBTL1CA1CA2 | |
| SCHEMBL8019716 | 0.77 | AKT1 (0.39) | — | |
| SCHEMBL418232 | 0.77 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1CA1CA2 | |
| SCHEMBL8007712 | 0.76 | KLK7 (0.37) | ALDH1A1MAPK1L3MBTL1SYKMAPT | |
| SCHEMBL18429584 | 0.76 | SYK (0.50) | ALDH1A1MAPK1L3MBTL1SYKMAPT | |
| SCHEMBL2141676 | 0.75 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1CA1CA2 | |
| SCHEMBL24067603 | 0.74 | MEN1 (0.39) | ALDH1A1SYKMAPTXBP1NPSR1 |
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-2000058264-A1 | METHOD FOR THE SYNTHESIS OF NON-SYMMETRICAL DTPA COMPOUNDS | MALLINCKRODT INC. (US) | 2000-10-05 | — | — | WO | disclosed |