Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8272019 | 0.90 | DPP4 (0.42) | ALDH1A1TSHRMAPTHPGDLMNA | |
| SCHEMBL13955067 | 0.87 | MAPT (0.36) | ALDH1A1TSHRMAPTHPGDLMNA | |
| SCHEMBL13955146 | 0.83 | ALDH1A1 (0.40) | ALDH1A1TSHRMAPTHPGDLMNA | |
| SCHEMBL9290387 | 0.78 | ALDH1A1 (0.42) | ALDH1A1TSHRMAPTHPGDLMNA | |
| SCHEMBL13936197 | 0.78 | DPP4 (0.42) | — | |
| SCHEMBL13955116 | 0.77 | HSD17B10 (0.42) | ALDH1A1TSHRMAPTHTTTP53 | |
| SCHEMBL4486312 | 0.76 | DPP4 (0.45) | ALDH1A1TSHRMAPTHPGDLMNA | |
| SCHEMBL4486305 | 0.76 | DPP4 (0.45) | ALDH1A1TSHRMAPTHPGDLMNA | |
| SCHEMBL8273221 | 0.76 | DPP4 (0.49) | — | |
| SCHEMBL13955119 | 0.75 | MAPT (0.40) | ALDH1A1TSHRMAPTLMNAHTT |
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 |