Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 7/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.35 |
| ▸ | CDK1 | P06493 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25914759 | 0.90 | LCK (0.44) | GAATHRBMAPTTP53KDM4E | |
| SCHEMBL25915040 | 0.81 | KDR (0.37) | GAATHRBMAPTTP53KDM4E | |
| SCHEMBL25914718 | 0.72 | KDR (0.38) | GAATHRBMAPTTP53ALDH1A1 | |
| SCHEMBL25910911 | 0.71 | CSF1R (0.49) | CYP2C9KDR | |
| SCHEMBL25914917 | 0.69 | CYP3A4 (0.35) | MAPTTP53ALDH1A1TSHRNPC1 | |
| SCHEMBL25912017 | 0.67 | CSF1R (0.49) | TDP1CYP2C9HTTKDR | |
| SCHEMBL25914012 | 0.66 | CSF1R (0.51) | CYP2C9KDR | |
| SCHEMBL25910708 | 0.65 | CSF1R (0.49) | CYP2C9KDR | |
| SCHEMBL25910939 | 0.64 | CSF1R (0.38) | CYP2C9KDR | |
| SCHEMBL15900480 | 0.63 | NPC1 (0.52) | MAPTNPC1TDP1CDK1KMT2A |
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-2023125812-A1 | SUBSTITUTED PYRIMIDONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF | 上海海雁医药科技有限公司 | 2023-07-06 | — | — | WO | disclosed |