Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.36 |
| ▸ | TACR2 | P21452 | 4/20 | 0.35 |
| ▸ | CDK2 | P24941 | 3/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | TRPV3 | Q8NET8 | 3/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.31 |
| ▸ | PAK4 | O96013 | 1/20 | 0.31 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15976851 | 0.91 | TACR2 (0.41) | CDK1TACR2CDK2CCNE1P2RX3 | |
| SCHEMBL18684005 | 0.79 | PANK3 (0.39) | TRPV3KMT2AMEN1ALDH1A1CYP1A2 | |
| SCHEMBL18683972 | 0.78 | CCNA2 (0.36) | CDK2TRPV3CDK5CDK5R1MAPT | |
| SCHEMBL4071055 | 0.77 | CETP (0.36) | TACR2MAPTTSHRKMT2AALDH1A1 | |
| SCHEMBL15088410 | 0.76 | ALDH1A1 (0.33) | CDK1CDK2P2RX3CDK5CDK5R1 | |
| SCHEMBL18684025 | 0.76 | CCNA2 (0.38) | CDK2TRPV3CDK5CDK5R1CCNA2 | |
| SCHEMBL18683882 | 0.75 | — | — | |
| SCHEMBL18683881 | 0.75 | SORD (0.40) | CDK2TRPV3CDK5CDK5R1CCNA2 | |
| SCHEMBL18684004 | 0.75 | SLC27A1 (0.34) | CDK2GRM5TRPV3CDK5CDK5R1 | |
| SCHEMBL18684003 | 0.75 | SLC27A1 (0.34) | CDK2GRM5TRPV3CDK5CDK5R1 |
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-2400962-B1 | Medicinal combinations containing PDE4 inhibitors and NSAIDS | BOEHRINGER INGELHEIM INT (DE) | 2017-11-08 | — | — | EP | disclosed |