Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 4/20 | 0.36 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL18280637 | 0.78 | PDE2A (0.44) | HTR2AALDH1A1 | |
| SCHEMBL25688856 | 0.78 | PDE2A (0.44) | HTR2AALDH1A1 | |
| SCHEMBL29074414 | 0.78 | GPR139 (0.41) | SOS1GPR139POLB | |
| SCHEMBL84044 | 0.77 | ALDH1A1 (0.41) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL29074379 | 0.76 | GPR139 (0.40) | SOS1GPR139POLB | |
| Hydrochloric Acid SCHEMBL31561502 | 0.76 | PDE2A (0.43) | HTR2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL19205712 | 0.76 | PDE2A (0.43) | HTR2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL18449678 | 0.76 | PDE2A (0.43) | HTR2AALDH1A1 | |
| SCHEMBL25373380 | 0.74 | PTGS1 (0.32) | HTR2ACYP2D6ALDH1A1 | |
| SCHEMBL21323637 | 0.74 | ACHE (0.33) | SOS1CYP2D6 |
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-2021226208-A2 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. (US) | 2021-11-11 | — | — | WO | disclosed |