Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23783439 | 0.68 | CYP3A4 (0.41) | CYP3A4LMNAMAPTENPP2MKNK1 | |
| SCHEMBL28767572 | 0.67 | CYP3A4 (0.39) | CYP3A4LMNAMAPTENPP2MKNK1 | |
| SCHEMBL28943672 | 0.67 | CYP3A4 (0.39) | CYP3A4LMNAMAPTENPP2MKNK1 | |
| SCHEMBL6597600 | 0.65 | CYP3A4 (0.39) | CYP3A4LMNAMAPTENPP2MKNK1 | |
| SCHEMBL15219432 | 0.64 | CYP3A4 (0.37) | CYP3A4LMNAMAPTENPP2MKNK1 | |
| SCHEMBL16923117 | 0.64 | CYP3A4 (0.54) | CYP3A4LMNAMAPTENPP2MKNK1 | |
| SCHEMBL1916742 | 0.61 | CYP3A4 (0.38) | CYP3A4LMNAMAPTENPP2MKNK1 | |
| SCHEMBL20357191 | 0.61 | LMNA (0.40) | CYP3A4LMNAMAPTENPP2MKNK1 | |
| SCHEMBL29131511 | 0.61 | CYP3A4 (0.38) | CYP3A4LMNAMAPTENPP2MKNK1 | |
| SCHEMBL244552 | 0.61 | CYP3A4 (0.38) | CYP3A4LMNAMAPTENPP2MKNK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103582642-B | HSP90 inhibitor | 索隆-基特林癌症研究协会 | 2021-05-11 | — | — | CN | disclosed |