Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 17/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20658215 | 0.88 | KCNH2 (0.50) | KCNH2 | |
| SCHEMBL17026408 | 0.78 | KCNH2 (0.53) | KCNH2 | |
| SCHEMBL20658202 | 0.78 | KCNH2 (0.53) | KCNH2 | |
| SCHEMBL135037 | 0.75 | CHRM1 (0.54) | KCNH2 | |
| SCHEMBL8561940 | 0.75 | MAPT (0.34) | — | |
| SCHEMBL11490372 | 0.74 | KCNH2 (0.46) | KCNH2 | |
| SCHEMBL19889812 | 0.73 | KCNH2 (0.43) | KCNH2 | |
| Alcohol SCHEMBL2290514 | 0.72 | CA12 (0.46) | CA12CA1CA9 | |
| SCHEMBL17017116 | 0.71 | KCNH2 (0.34) | KCNH2CA12CA1CA9 | |
| SCHEMBL9729154 | 0.71 | KCNH2 (0.41) | KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5808160-A | Preparation of hydroxy-alkyl-substituted aminoalkynes with heterogenous catalysis | BASF AKTIENGESELLSCHAFT (DE) | 1998-09-15 | — | — | US | disclosed |