Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 5/20 | 0.54 |
| ▸ | CTSS | P25774 | 4/20 | 0.54 |
| ▸ | CTSB | P07858 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL18857025 | 1.00 | CTSL (0.54) | CTSLCTSSCTSBCYP3A4CYP2D6 | |
| SCHEMBL18856965 | 0.90 | CTSL (0.52) | CTSLCTSSCTSBCYP3A4CYP2D6 | |
| SCHEMBL17225848 | 0.89 | TRPM8 (0.58) | CTSLCTSSCTSBMEN1KMT2A | |
| SCHEMBL24596987 | 0.88 | CTSB (0.59) | CTSLCTSSCTSBCYP3A4CYP2D6 | |
| SCHEMBL18840086 | 0.88 | CTSL (0.56) | CTSLCTSSCTSBCYP3A4CYP2D6 | |
| SCHEMBL14595222 | 0.88 | CTSB (0.59) | CTSLCTSSCTSBCYP3A4CYP2D6 | |
| SCHEMBL18857043 | 0.86 | CTRB1 (0.51) | CTSLCTSSCTSBCYP3A4CYP2D6 | |
| SCHEMBL27310595 | 0.85 | CYP3A4 (0.69) | CTSLCTSSCTSBCYP3A4CYP2D6 | |
| SCHEMBL18857016 | 0.84 | CTSL (0.53) | CTSLCTSSCTSBCYP3A4CYP2D6 | |
| SCHEMBL11449968 | 0.83 | CTRB1 (0.52) | CTSLCTSSCTSBRAB9AATM |
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 |