Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.66 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.44 |
| ▸ | AXL | P30530 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21880899 | 1.00 | KIF11 (0.66) | KIF11CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL21880902 | 1.00 | KIF11 (0.66) | KIF11CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL15496366 | 0.98 | KIF11 (0.68) | KIF11CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL13179001 | 0.89 | KIF11 (0.70) | KIF11CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL23928359 | 0.84 | KIF11 (0.69) | KIF11CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL20089424 | 0.84 | KIF11 (0.64) | KIF11CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL2733410 | 0.84 | KIF11 (0.68) | KIF11CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7809372 | 0.83 | KIF11 (0.52) | KIF11MKNK1MKNK2MEN1CYP19A1 | |
| SCHEMBL24604650 | 0.83 | KIF11 (0.67) | KIF11CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL21808801 | 0.82 | CYP2A6 (0.79) | KIF11CYP2A6ALDH1A1CYP1A2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11815475-B2 | Method for identifying molecular structure | THE UNIVERSITY OF TOKYO (JP) | 2023-11-14 | — | — | US | disclosed |
| US-11815475-B2 | Method for identifying molecular structure | THE UNIVERSITY OF TOKYO (JP) | 2023-11-14 | — | — | US | disclosed |
| US-20200096461-A1 | METHOD FOR IDENTIFYING MOLECULAR STRUCTURE | THE UNIVERSITY OF TOKYO (JP) | 2020-03-26 | — | — | US | disclosed |