Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | LPL | P06858 | 1/20 | 0.42 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16106154 | 0.83 | ESR1 (0.48) | TP53TAAR1KIF11CYP2A6LPL | |
| SCHEMBL27858723 | 0.83 | TP53 (0.46) | TP53TAAR1KIF11CYP2A6LPL | |
| SCHEMBL338386 | 0.83 | BCHE (0.52) | TP53TAAR1TSHRLMNA | |
| SCHEMBL91061 | 0.81 | TAAR1 (0.54) | TP53TAAR1KIF11ALDH1A1TSHR | |
| SCHEMBL128572 | 0.81 | LPL (0.46) | TP53TAAR1KIF11CYP2A6LPL | |
| SCHEMBL8507876 | 0.80 | TAAR1 (0.58) | TP53TAAR1KIF11CYP2A6LPL | |
| SCHEMBL28273165 | 0.80 | ESR1 (0.42) | TP53TAAR1KIF11CYP2A6LPL | |
| SCHEMBL23637632 | 0.79 | TP53 (0.42) | TP53TAAR1KIF11CYP2A6LPL | |
| SCHEMBL15279335 | 0.79 | TP53 (0.42) | TP53TAAR1KIF11CYP2A6LPL | |
| SCHEMBL12044715 | 0.79 | PDE2A (0.46) | TP53TAAR1KIF11CYP2A6LPL |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112047829-B | Synthesis method of alcaine intermediate 2- (4-ethyl-3-iodophenyl) -2-methylpropanoic acid | 成都艾必克医药科技有限公司 | 2023-05-26 | — | — | CN | claimed |
| CN-112047829-A | Synthetic method of hydrochloric acid Alininib intermediate 2- (4-ethyl-3-iodophenyl) -2-methylpropanoic acid | 成都艾必克医药科技有限公司 | 2020-12-08 | — | — | CN | claimed |
| CN-112047829-B | Synthesis method of alcaine intermediate 2- (4-ethyl-3-iodophenyl) -2-methylpropanoic acid | 成都艾必克医药科技有限公司 | 2023-05-26 | — | — | CN | disclosed |
| CN-112047829-A | Synthetic method of hydrochloric acid Alininib intermediate 2- (4-ethyl-3-iodophenyl) -2-methylpropanoic acid | 成都艾必克医药科技有限公司 | 2020-12-08 | — | — | CN | disclosed |