Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | FAP | Q12884 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8273203 | 0.89 | DPP4 (0.46) | HSD17B10DPP4FAP | |
| SCHEMBL13955116 | 0.87 | HSD17B10 (0.42) | HSD17B10ALDH1A1HTTMAPTTSHR | |
| SCHEMBL12650019 | 0.82 | DPP4 (0.51) | ALDH1A1MAOBTHRBMAPTTSHR | |
| SCHEMBL13955212 | 0.80 | DPP4 (0.40) | HSD17B10ALDH1A1MAOBHTTTHRB | |
| SCHEMBL13955143 | 0.79 | PKM (0.40) | HSD17B10ALDH1A1MAOBHTTTHRB | |
| SCHEMBL13955140 | 0.78 | DPP4 (0.49) | HSD17B10ALDH1A1MAOBTHRBMAPT | |
| SCHEMBL13954983 | 0.78 | KMT2A (0.42) | HSD17B10ALDH1A1MAOBHTTTHRB | |
| SCHEMBL13955147 | 0.77 | DPP4 (0.42) | ALDH1A1MAOBTHRBMAPTTSHR | |
| SCHEMBL13955148 | 0.77 | THRB (0.37) | ALDH1A1MAOBTHRBMAPTTSHR | |
| SCHEMBL8273200 | 0.77 | DPP4 (0.43) | HSD17B10DPP4FAP |
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-1797093-B1 | NOVEL 3-METHYL-7-BUTINYL-XANTHINES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INT (DE) | 2012-05-30 | — | — | EP | disclosed |
| 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 |