Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | CDC25B | P30305 | 2/20 | 0.34 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KRAS | P01116 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL24630603 | 0.81 | GABRA1 (0.48) | GABRA1GABRB2DAOFLT3ANPEP | |
| SCHEMBL20365835 | 0.79 | KCNH2 (0.43) | GABRA1GABRB2KCNH2SCN5A | |
| SCHEMBL24175936 | 0.78 | GABRA1 (0.45) | GABRA1GABRB2DAOFLT3ANPEP | |
| SCHEMBL24697343 | 0.77 | GABRA1 (0.44) | GABRA1GABRB2DAOFLT3MTNR1A | |
| SCHEMBL24858602 | 0.77 | DAO (0.44) | GABRA1GABRB2DAOFLT3MTNR1A | |
| SCHEMBL26708797 | 0.75 | GABRA1 (0.42) | GABRA1GABRB2DAOFLT3MTNR1A | |
| SCHEMBL24680252 | 0.74 | GABRA1 (0.41) | GABRA1GABRB2DAOFLT3ANPEP | |
| SCHEMBL26058899 | 0.74 | GABRA1 (0.46) | GABRA1GABRB2DAOFLT3ANPEP | |
| SCHEMBL25079343 | 0.74 | GABRA1 (0.41) | GABRA1GABRB2DAOFLT3MTNR1A | |
| SCHEMBL25811546 | 0.73 | CYP1A1 (0.36) | CDC25BMEN1KMT2AKRASTSHR |
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-2022192790-A1 | KRAS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2022-09-15 | — | — | WO | disclosed |