Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL2360079 | 0.92 | DPP4 (0.46) | LMNAKDM4EADRA2AADRA2CHIF1A | |
| SCHEMBL6528197 | 0.92 | DPP4 (0.46) | LMNAKDM4EADRA2AADRA2CHIF1A | |
| Hydrochloric Acid SCHEMBL4574710 | 0.90 | DPP4 (0.44) | LMNAKDM4EADRA2AADRA2CHIF1A | |
| Hydrochloric Acid SCHEMBL3923326 | 0.90 | DPP4 (0.44) | LMNAKDM4EADRA2AADRA2CHIF1A | |
| SCHEMBL14687084 | 0.74 | ANPEP (0.50) | ALDH1A1F2KMT2ACYP2C19CA12 | |
| SCHEMBL332222 | 0.74 | SRC (0.54) | LMNAKDM4EADRA2AADRA2CHIF1A | |
| SCHEMBL15232676 | 0.73 | DPP4 (0.50) | LMNAKDM4EADRA2AADRA2CHIF1A | |
| SCHEMBL28743312 | 0.73 | ADRB1 (0.53) | LMNAKDM4EADRA2AADRA2CHIF1A | |
| SCHEMBL19066301 | 0.72 | CA1 (0.43) | F2KMT2ATDP1CA12CA1 | |
| SCHEMBL3430220 | 0.72 | DPP4 (0.48) | DPP4F2SRCCA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2020404-A1 | Cyanomethyl substituted N-Acyl Tryptamines | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-02-04 | — | — | EP | disclosed |