Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29834916 | 0.74 | CYP2C19 (0.42) | TDP1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27603221 | 0.71 | ALDH1A1 (0.48) | TDP1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL22357532 | 0.70 | ALDH1A1 (0.43) | TDP1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28844320 | 0.66 | ALDH1A1 (0.43) | TDP1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18834987 | 0.65 | LMNA (0.40) | ALDH1A1CYP2C9CYP2C19CYP19A1NPSR1 | |
| SCHEMBL15663791 | 0.65 | PTGS2 (0.37) | TDP1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28332069 | 0.65 | PTGS2 (0.37) | TDP1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29018095 | 0.65 | MIF (0.38) | TDP1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL88322 | 0.65 | ALDH1A1 (0.46) | TDP1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17202545 | 0.63 | CES1 (0.43) | TDP1ALDH1A1CYP2C19L3MBTL1PTGS2 |
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-109438349-A | 6- (alpha-cyano imines) base phenanthridines class compound and its synthetic method | 上海大学 | 2019-03-08 | — | — | CN | disclosed |