Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FYN | P06241 | 8/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.46 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14988167 | 0.77 | CYP11B1 (0.46) | FYNCYP2A6CYP11B1CYP11B2NPC1 | |
| SCHEMBL5496398 | 0.77 | FYN (0.45) | FYNCYP2A6CYP11B1CYP11B2DYRK1B | |
| SCHEMBL31339071 | 0.77 | CYP11B1 (0.46) | FYNCYP2A6CYP11B1CYP11B2NPC1 | |
| SCHEMBL12320875 | 0.77 | CCR1 (0.56) | FYNCYP2A6CYP11B1CYP11B2NPC1 | |
| SCHEMBL19933574 | 0.77 | NPC1 (0.52) | NPC1 | |
| SCHEMBL1416706 | 0.74 | NPC1 (0.55) | CYP2A6NPC1 | |
| SCHEMBL2253693 | 0.74 | RAB9A (0.46) | FYNCYP11B1CYP11B2NPC1CYP3A4 | |
| SCHEMBL30056169 | 0.74 | RAB9A (0.46) | FYNCYP11B1CYP11B2NPC1CYP3A4 | |
| SCHEMBL40864 | 0.73 | KDM4E (0.46) | CYP2A6NPC1 | |
| SCHEMBL155093 | 0.73 | CYP11B1 (0.56) | FYNCYP11B1CYP11B2NPC1CASP3 |
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-2024166133-A1 | LIGAND SCAFFOLD FOR PROXIMAL & REMOTE BORYLATION OF ARENES | CENTRE OF BIOMEDICAL RESEARCH (IN) | 2024-08-15 | — | — | WO | disclosed |