Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MYC | P01106 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL391750 | 0.81 | ALDH1A1 (0.43) | HSD17B10TSHRALDH1A1MAPK10KMT2A | |
| SCHEMBL27926911 | 0.80 | KDM4E (0.42) | HSD17B10MYCTSHRDYRK1AALDH1A1 | |
| SCHEMBL15228293 | 0.80 | NOTUM (0.40) | ESR1ESR2LCKFYNAKR1C4 | |
| SCHEMBL15051254 | 0.75 | LMNA (0.39) | AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10 | |
| SCHEMBL22470670 | 0.73 | LCK (0.42) | ESR1ESR2LCKFYNAKR1C4 | |
| SCHEMBL13560140 | 0.69 | L3MBTL1 (0.40) | HSD17B10ALDH1A1KMT2AGAA | |
| SCHEMBL12130341 | 0.68 | SMN1; SMN2 (0.39) | MYCTSHRALDH1A1NOTUMKMT2A | |
| SCHEMBL27794857 | 0.68 | NOTUM (0.37) | ESR1ESR2LCKFYNAKR1C4 | |
| SCHEMBL26655052 | 0.68 | KMT2A (0.37) | LCKFYNHSD17B10ALDH1A1KMT2A | |
| SCHEMBL71146 | 0.66 | LCK (0.60) | LCKFYNAKR1C4AKR1C3AKR1C2 |
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-111704611-B | Aryl spiro SHP2 inhibitor compound, preparation method and application | 上海凌达生物医药有限公司 | 2022-01-14 | — | — | CN | disclosed |
| CN-111704611-A | Aryl spiro SHP2 inhibitor compound, preparation method and application | 上海凌达生物医药有限公司 | 2020-09-25 | — | — | CN | disclosed |