Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 13/20 | 0.42 |
| ▸ | FAP | Q12884 | 10/20 | 0.42 |
| ▸ | POU2F2 | P09086 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | POU2F1 | P14859 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.41 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.41 |
| ▸ | GHSR | Q92847 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13936232 | 0.91 | DPP4 (0.51) | DPP4FAPPOU2F2ADORA3CHRM1 | |
| SCHEMBL12650019 | 0.88 | DPP4 (0.51) | DPP4FAPPOU2F2ADORA3CHRM1 | |
| SCHEMBL13954984 | 0.82 | DPP4 (0.52) | DPP4MAOBTHRBMAPTALDH1A1 | |
| SCHEMBL13954992 | 0.81 | DPP4 (0.40) | DPP4FAPMAOBTHRBMAPT | |
| SCHEMBL13954915 | 0.81 | KMT2A (0.56) | DPP4MAOBALDH1A1 | |
| SCHEMBL20895844 | 0.81 | DPP4 (0.49) | DPP4FAPPOU2F2ADORA3CHRM1 | |
| SCHEMBL1772436 | 0.80 | DPP4 (0.63) | DPP4FAPPOU2F2ADORA3CHRM1 | |
| SCHEMBL8271567 | 0.80 | DPP4 (0.53) | DPP4FAPPOU2F2ADORA3CHRM1 | |
| SCHEMBL8273215 | 0.79 | DPP4 (0.61) | DPP4FAPPOU2F2ADORA3CHRM1 | |
| SCHEMBL9290323 | 0.77 | HSD17B10 (0.43) | DPP4FAPMAOBTHRBMAPT |
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-7495002-B2 | 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-02-24 | — | — | US | disclosed |