Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 4/20 | 0.49 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MDM4 | O15151 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29007684 | 0.85 | OPRK1 (0.38) | OPRK1NLRP3ATMALDH1A1L3MBTL1 | |
| SCHEMBL19355121 | 0.84 | OPRK1 (0.52) | OPRK1NLRP3ATMALDH1A1THRB | |
| SCHEMBL28883458 | 0.83 | SCN9A (0.48) | OPRK1ATMALDH1A1THRBCYP2C9 | |
| SCHEMBL32676961 | 0.82 | OPRK1 (0.50) | OPRK1NLRP3ATMALDH1A1THRB | |
| SCHEMBL32676897 | 0.82 | OPRK1 (0.50) | OPRK1NLRP3ATMALDH1A1THRB | |
| SCHEMBL32676964 | 0.82 | OPRK1 (0.50) | OPRK1NLRP3ATMALDH1A1THRB | |
| SCHEMBL12863012 | 0.81 | ATM (0.63) | ATMALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL11940456 | 0.81 | ATM (0.63) | ATMALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL20211752 | 0.81 | ATM (0.63) | ATMALDH1A1THRBCYP2C9CYP2C19 | |
| SCHEMBL27388969 | 0.81 | OPRK1 (0.48) | OPRK1NLRP3ATMALDH1A1THRB |
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 |