Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.50 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19236697 | 1.00 | CYP3A4 (0.51) | CYP3A4NFKB1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21579943 | 0.84 | CYP3A4 (0.53) | CYP3A4NFKB1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28796948 | 0.83 | CYP3A4 (0.49) | CYP3A4NFKB1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL18274708 | 0.83 | CYP3A4 (0.51) | CYP3A4NFKB1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2355142 | 0.82 | ALDH1A1 (0.36) | CYP3A4NFKB1CYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL28796983 | 0.82 | LMNA (0.50) | CYP3A4NFKB1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL24786123 | 0.81 | CYP3A4 (0.50) | CYP3A4NFKB1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL27829186 | 0.80 | ALDH1A1 (0.35) | CYP3A4NFKB1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21941823 | 0.79 | CYP3A4 (0.45) | CYP3A4NFKB1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8860901 | 0.78 | CYP3A4 (0.33) | CYP3A4NFKB1CYP1A2CYP2D6CYP2C9 |
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-109305989-B | Phosphamide derivative and preparation method and application thereof | 四川海思科制药有限公司 | 2021-02-26 | — | — | CN | disclosed |