Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MDM4 | O15151 | 1/20 | 0.45 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6510996 | 0.87 | LNPEP (0.49) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL28883406 | 0.87 | NOS2 (0.55) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL30000048 | 0.86 | MME (0.57) | CYP2C9NPSR1ESR1LMNAACACB | |
| SCHEMBL12863003 | 0.86 | MDM4 (0.60) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL28883318 | 0.84 | NOS2 (0.61) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL28883302 | 0.84 | NPSR1 (0.56) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL12863012 | 0.84 | ATM (0.63) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL11940456 | 0.84 | ATM (0.63) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL20211752 | 0.84 | ATM (0.63) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL5860031 | 0.82 | ATM (0.45) | ALDH1A1THRBCYP2C9CYP2C19HSD17B10 |
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 |