Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | CTSL | P07711 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6153516 | 0.89 | CYP1A2 (0.55) | SMN1; SMN2KMT2AMEN1HTTHPGD | |
| SCHEMBL938011 | 0.88 | ATM (0.57) | ATMCTSL | |
| SCHEMBL15414625 | 0.88 | ATM (0.57) | ATMCTSL | |
| SCHEMBL938009 | 0.88 | ATM (0.57) | ATMCTSL | |
| SCHEMBL19569920 | 0.88 | POLB (0.61) | SMN1; SMN2ALDH1A1NPC1RAB9AATM | |
| SCHEMBL5509400 | 0.87 | SMN1; SMN2 (0.49) | SMN1; SMN2KMT2AMEN1HTTHPGD | |
| SCHEMBL265604 | 0.87 | ATM (0.56) | HTTATMCTSL | |
| SCHEMBL15070315 | 0.87 | ATM (0.56) | ATMCTSL | |
| SCHEMBL8061660 | 0.87 | ATM (0.56) | HTTATMCTSL | |
| SCHEMBL18381502 | 0.87 | ATM (0.59) | ATMCTSL |
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 |