Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | MMP1 | P03956 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.50 |
| ▸ | MMP3 | P08254 | 2/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MDM4 | O15151 | 1/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.46 |
| ▸ | FPR2 | P25090 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7306740 | 0.89 | FPR2 (0.59) | NPSR1MMP1KMT2AALDH1A1LDHA | |
| SCHEMBL30000376 | 0.89 | FPR2 (0.59) | NPSR1MMP1KMT2AALDH1A1LDHA | |
| SCHEMBL7306758 | 0.89 | FPR2 (0.59) | NPSR1MMP1KMT2AALDH1A1LDHA | |
| SCHEMBL12863003 | 0.87 | MDM4 (0.60) | NPSR1KMT2AALDH1A1ATMTSHR | |
| SCHEMBL28883406 | 0.86 | NOS2 (0.55) | KMT2AALDH1A1MEN1LMNAATM | |
| SCHEMBL28883318 | 0.86 | NOS2 (0.61) | KMT2AALDH1A1MEN1GAAATM | |
| SCHEMBL6510996 | 0.86 | LNPEP (0.49) | NPSR1KMT2AALDH1A1MEN1LMNA | |
| SCHEMBL12863012 | 0.85 | ATM (0.63) | KMT2AALDH1A1MEN1LMNAGAA | |
| SCHEMBL11940456 | 0.85 | ATM (0.63) | KMT2AALDH1A1MEN1LMNAGAA | |
| SCHEMBL20211752 | 0.85 | ATM (0.63) | KMT2AALDH1A1MEN1LMNAGAA |
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-115340468-A | (R) -deuterated phenylalanine derivative and preparation method thereof | 西南大学 | 2022-11-15 | — | — | CN | disclosed |