Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.35 |
| ▸ | F11 | P03951 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PREP | P48147 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16754160 | 0.85 | TSHR (0.38) | LMNAKMT2ASMN1; SMN2MEN1TDP1 | |
| SCHEMBL19470053 | 0.82 | ACE (0.37) | LMNAF11TDP1PREPCASP1 | |
| SCHEMBL29143359 | 0.82 | ACE (0.37) | LMNAF11TDP1PREPCASP1 | |
| SCHEMBL10189678 | 0.76 | ADRB3 (0.41) | KMT2ASMN1; SMN2MEN1ALDH1A1OPRM1 | |
| SCHEMBL11964111 | 0.76 | ADRB3 (0.41) | KMT2ASMN1; SMN2MEN1ALDH1A1OPRM1 | |
| SCHEMBL19595725 | 0.72 | GAA (0.38) | KMT2AMEN1ALDH1A1CYP3A4 | |
| SCHEMBL15079202 | 0.72 | GAA (0.38) | KMT2AMEN1ALDH1A1CYP3A4 | |
| SCHEMBL27070540 | 0.71 | CYP1A2 (0.40) | KMT2ACYP2C19 | |
| SCHEMBL19584519 | 0.70 | KMT2A (0.35) | LMNAKMT2AMEN1CASP3 | |
| SCHEMBL19618711 | 0.70 | KDM4E (0.40) | KMT2ASMN1; SMN2MEN1F11ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117402117-B | Preparation method of 4-pyrimidinone derivative | 南京威凯尔生物医药科技有限公司 | 2024-03-19 | — | — | CN | disclosed |
| CN-117402117-A | Preparation method of 4-pyrimidinone derivative | 南京威凯尔生物医药科技有限公司 | 2024-01-16 | — | — | CN | disclosed |