Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.44 |
| ▸ | P4HTM | Q9NXG6 | 7/20 | 0.42 |
| ▸ | RRM2 | P31350 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | PI4KA | P42356 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25905785 | 0.85 | ADRA2A (0.40) | ADRA2AADRA2BADRA2CP4HTMRRM2 | |
| SCHEMBL30112058 | 0.81 | P4HTM (0.60) | ADRA2AADRA2BADRA2CP4HTMMAPT | |
| SCHEMBL18405340 | 0.81 | P4HTM (0.60) | ADRA2AADRA2BADRA2CP4HTMMAPT | |
| SCHEMBL19156381 | 0.81 | P4HTM (0.42) | P4HTMPIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL28294216 | 0.79 | P4HTM (0.50) | P4HTMPIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL14918550 | 0.76 | P4HTM (0.42) | P4HTMPIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL19555950 | 0.76 | CYP1A2 (0.47) | ADRA2AADRA2BADRA2CP4HTMMAPT | |
| SCHEMBL30112066 | 0.76 | CYP1A2 (0.47) | ADRA2AADRA2BADRA2CP4HTMMAPT | |
| SCHEMBL10272733 | 0.75 | MAPT (0.46) | P4HTMPIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL25124451 | 0.74 | SMN1; SMN2 (0.50) | ADRA2AADRA2BADRA2CMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023015559-A1 | MACROCYCLE COMPOUNDS AS INHIBITORS OF RAS | NUTSHELL BIOTECH (SHANGHAI) CO., LTD. (CN) | 2023-02-16 | — | — | WO | disclosed |