Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 5/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 4/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17442864 | 0.84 | ROCK1 (0.42) | AKT1SCN9AIDO1F10NTRK1 | |
| Hydrochloric Acid SCHEMBL17442621 | 0.82 | ROCK1 (0.41) | AKT1SCN9AIDO1F10NTRK1 | |
| SCHEMBL12044601 | 0.82 | RAB9A (0.41) | AKT1SCN9AMAPTLMNA | |
| SCHEMBL17442555 | 0.82 | F10 (0.35) | AKT1SCN9AIDO1METF10 | |
| SCHEMBL17442556 | 0.82 | MAPT (0.37) | AKT1SCN9AMETF10NTRK1 | |
| SCHEMBL13486441 | 0.78 | IKBKE (0.45) | AKT1SCN9ANTRK1GSK3B | |
| SCHEMBL12031404 | 0.78 | AKT1 (0.41) | AKT1SCN9AIDO1F10NTRK1 | |
| SCHEMBL3547238 | 0.77 | MAPT (0.49) | SCN9AMETF10NTRK1MAPT | |
| SCHEMBL21249091 | 0.76 | FAAH (0.38) | ESR1ESR2MAPT | |
| SCHEMBL1943238 | 0.76 | IDO1 (0.50) | IDO1MAPT |
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-107072985-B | Therapeutic inhibiting compounds | 莱福斯希医药公司 | 2020-02-07 | — | — | CN | disclosed |