Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KISS1R | Q969F8 | 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 | |
|---|---|---|---|---|
| SCHEMBL22111186 | 0.78 | ALDH1A1 (0.33) | ALDH1A1TDP1 | |
| SCHEMBL12157037 | 0.75 | ALDH1A1 (0.43) | ALDH1A1TDP1 | |
| SCHEMBL13474987 | 0.75 | ALDH1A1 (0.43) | ALDH1A1TDP1 | |
| SCHEMBL8228271 | 0.73 | SLC22A6 (0.38) | TDP1 | |
| SCHEMBL16656708 | 0.73 | SLC22A6 (0.38) | TDP1 | |
| SCHEMBL8368760 | 0.73 | SLC22A6 (0.38) | TDP1 | |
| SCHEMBL20342167 | 0.72 | — | — | |
| SCHEMBL10442189 | 0.71 | ECE1 (0.40) | ALDH1A1 | |
| SCHEMBL13164033 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL17617892 | 0.71 | MCL1 (0.34) | — |
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-2019031615-A1 | HEMIASTERLIN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES INCLUDING SAME | 大日本住友製薬株式会社 | 2019-02-14 | — | — | WO | disclosed |