Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 14/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 12/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 11/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.50 |
| ▸ | TSHR | P16473 | 9/20 | 0.50 |
| ▸ | USP2 | O75604 | 8/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | LMNA | P02545 | 7/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.50 |
| ▸ | GLA | P06280 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30905528 | 1.00 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6CLK4CYP2C19 | |
| SCHEMBL1198126 | 0.80 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CLK4CYP2C19 | |
| SCHEMBL1197943 | 0.80 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CLK4CYP2C19 | |
| SCHEMBL28595894 | 0.77 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CLK4CYP2C19 | |
| SCHEMBL4791564 | 0.76 | KDM4C (0.60) | CYP1A2CYP3A4CYP2D6CLK4CYP2C19 | |
| SCHEMBL23087666 | 0.74 | PDGFRB (0.68) | USP2ALDH1A1NPC1RAB9AMAPK1 | |
| SCHEMBL319266 | 0.74 | APLNR (0.63) | CYP1A2CYP3A4CYP2D6CLK4CYP2C19 | |
| SCHEMBL29915060 | 0.74 | PDGFRB (0.68) | USP2ALDH1A1NPC1RAB9AMAPK1 | |
| SCHEMBL13273549 | 0.73 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2D6CLK4CYP2C19 | |
| SCHEMBL29824145 | 0.73 | APLNR (0.51) | CYP1A2CYP3A4CYP2D6CLK4CYP2C19 |
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-2024112853-A1 | COMPOUNDS THAT INHIBIT PKMYT1 | EXELIXIS, INC. (US) | 2024-05-30 | — | — | WO | disclosed |