Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | F7 | P08709 | 1/20 | 0.35 |
| ▸ | F3 | P13726 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6336495 | 0.96 | ALDH1A1 (0.40) | ALDH1A1MMP13HRH3CYP2D6SRC | |
| SCHEMBL6344101 | 0.91 | CA1 (0.43) | HRH3CYP2D6TSHRKMT2ACA1 | |
| SCHEMBL6335390 | 0.87 | CA1 (0.43) | HRH3CYP2D6TSHRKMT2ACA1 | |
| SCHEMBL6345240 | 0.87 | CA1 (0.43) | HRH3CYP2D6TSHRKMT2ACA1 | |
| SCHEMBL6334414 | 0.83 | CA7 (0.38) | TSHRDPP4DPP8DPP9DPP7 | |
| SCHEMBL6337078 | 0.82 | DPP4 (0.37) | ALDH1A1HRH3CYP2D6DPP4DPP8 | |
| SCHEMBL6346802 | 0.82 | CA1 (0.40) | ALDH1A1TSHRCA1CA2 | |
| SCHEMBL6338274 | 0.80 | SIGMAR1 (0.44) | ALDH1A1MMP13KDM4EPKMKMT2A | |
| SCHEMBL6338503 | 0.78 | HTR2A (0.41) | ALDH1A1CYP2D6CA1CA2 | |
| SCHEMBL6337134 | 0.78 | MMP1 (0.43) | LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453805-A1 | 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003048124-A1 | 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-06-12 | — | — | WO | disclosed |