Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | LPL | P06858 | 1/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11539224 | 0.81 | NPC1 (0.48) | ESR1ESR2TP53TAAR1KIF11 | |
| SCHEMBL28550068 | 0.81 | ESR1 (0.38) | ESR1ESR2TP53TAAR1KIF11 | |
| SCHEMBL14612435 | 0.79 | ESR1 (0.39) | ESR1ESR2TP53TAAR1APP | |
| SCHEMBL8507876 | 0.77 | TAAR1 (0.58) | ESR1ESR2TP53TAAR1KIF11 | |
| SCHEMBL10878037 | 0.77 | ESR1 (0.47) | ESR1ESR2TP53TAAR1KIF11 | |
| SCHEMBL28273165 | 0.77 | ESR1 (0.42) | ESR1ESR2TP53TAAR1KIF11 | |
| SCHEMBL11543850 | 0.77 | SHBG (0.59) | ESR1ESR2TP53TAAR1KIF11 | |
| SCHEMBL10524959 | 0.77 | ESR1 (0.42) | ESR1ESR2TP53TAAR1KIF11 | |
| SCHEMBL11545509 | 0.77 | ESR1 (0.44) | ESR1ESR2TP53TAAR1KIF11 | |
| SCHEMBL15279335 | 0.76 | TP53 (0.42) | ESR1ESR2TP53TAAR1KIF11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109438218-B | Synthesis method of hydrochloric acid neritinib intermediate 2- (4-ethyl-3-iodophenyl) -2-methylpropanoic acid | 成都艾必克医药科技有限公司 | 2021-04-09 | — | — | CN | disclosed |
| CN-109438218-A | A kind of hydrochloric acid Ai Le replaces the synthetic method of Buddhist nun's intermediate 2- (4- ethyl -3- iodophenyl) -2 Methylpropionic acid | 成都艾必克医药科技有限公司 | 2019-03-08 | — | — | CN | disclosed |