Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.84 |
| ▸ | NPC1 | O15118 | 2/20 | 0.84 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.54 |
| ▸ | HTT | P42858 | 5/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28619353 | 0.92 | KMT2A (1.00) | KMT2ANPC1ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL18124423 | 0.88 | ALDH1A1 (0.77) | KMT2ANPC1ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL1582969 | 0.80 | ALDH1A1 (0.91) | KMT2ANPC1ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL1820762 | 0.80 | ALDH1A1 (1.00) | KMT2ANPC1ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL1352542 | 0.78 | KMT2A (0.61) | KMT2ANPC1ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL20436785 | 0.78 | KMT2A (0.77) | KMT2ANPC1ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL7244502 | 0.78 | ALDH1A1 (0.67) | KMT2ANPC1ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL8970703 | 0.78 | ALDH1A1 (0.87) | KMT2ANPC1ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL8970657 | 0.78 | ALDH1A1 (0.87) | KMT2ANPC1ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL8971393 | 0.78 | ALDH1A1 (0.87) | KMT2ANPC1ALDH1A1CYP2C19CYP3A4 |
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-2017082924-A1 | PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 2017-05-18 | — | — | WO | disclosed |