Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL323456 | 0.79 | ALDH1A1 (0.52) | KMT2AP2RX4TDP1LMNAMEN1 | |
| SCHEMBL29376524 | 0.74 | EGFR (0.38) | EGFR | |
| SCHEMBL21800343 | 0.71 | LMNA (0.46) | KMT2AP2RX4TDP1LMNAMEN1 | |
| SCHEMBL22819131 | 0.70 | ALDH1A1 (0.60) | CYP3A4KMT2AP2RX4TDP1LMNA | |
| SCHEMBL15862442 | 0.69 | P2RX4 (0.43) | KMT2AP2RX4TDP1LMNAMEN1 | |
| SCHEMBL1170984 | 0.69 | ALDH1A1 (0.55) | KMT2AP2RX4TDP1LMNAMEN1 | |
| SCHEMBL9880595 | 0.69 | HTR2C (0.48) | KMT2AP2RX4TDP1MEN1NPSR1 | |
| SCHEMBL22529569 | 0.68 | P2RX4 (0.45) | KMT2AP2RX4TDP1LMNAMEN1 | |
| SCHEMBL27757670 | 0.68 | CTRB1 (0.42) | KMT2AP2RX4TDP1LMNAMEN1 | |
| SCHEMBL29909711 | 0.68 | NAMPT (0.49) | GRIN2BCYP3A4CYP2D6CYP2C9KMT2A |
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-117769554-A | Small molecule inhibitors of KRAS muteins | 大鹏药品工业株式会社 | 2024-03-26 | — | — | CN | disclosed |