Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK7 | P49862 | 1/20 | 0.37 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| SCHEMBL8007716 | 0.87 | SYK (0.40) | KLK7KLK5SYKMAPTTDP1 | |
| SCHEMBL8024425 | 0.80 | ALDH1A1 (0.36) | SYKMAPTXBP1NPSR1TDP1 | |
| SCHEMBL7801949 | 0.78 | — | — | |
| SCHEMBL1455947 | 0.78 | ALDH1A1 (0.40) | SYKMAPTXBP1NPSR1TDP1 | |
| SCHEMBL24067603 | 0.77 | MEN1 (0.39) | SYKMAPTXBP1NPSR1TDP1 | |
| SCHEMBL8017404 | 0.76 | ALDH1A1 (0.36) | SYKMAPTXBP1NPSR1TDP1 | |
| SCHEMBL8084139 | 0.76 | PPARA (0.43) | KLK7KLK5NPSR1PPARAL3MBTL1 | |
| SCHEMBL8090953 | 0.75 | ATM (0.39) | MAPTNPSR1TDP1MEN1KMT2A | |
| SCHEMBL23197893 | 0.75 | ACACB (0.31) | CYP2C19NR1H3ALDH1A1MAPK1 | |
| SCHEMBL10054669 | 0.75 | PPIB (0.32) | CYP2C19ALDH1A1MAPK1 |
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-2000058269-A1 | DTPA ESTERS WITH ORTHOGONAL REMOVABLE PROTECTING GROUPS | MALLINCKRODT INC. (US) | 2000-10-05 | — | — | WO | disclosed |