Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13955116 | 0.89 | HSD17B10 (0.42) | ALDH1A1TSHRMAPTNPSR1MAPK1 | |
| SCHEMBL8273196 | 0.89 | DPP4 (0.41) | ALDH1A1TRPA1ADORA3 | |
| SCHEMBL13955108 | 0.84 | ALDH1A1 (0.42) | ALDH1A1TSHRMAPTNPSR1MAPK1 | |
| SCHEMBL10030473 | 0.84 | DPP4 (0.50) | ALDH1A1TSHRMAPTNPSR1MAPK1 | |
| SCHEMBL13954913 | 0.84 | DPP4 (0.50) | ALDH1A1TSHRMAPTNPSR1MAPK1 | |
| SCHEMBL8272349 | 0.84 | DPP4 (0.48) | ALDH1A1TSHRMAPTNPSR1MAPK1 | |
| SCHEMBL8272331 | 0.84 | DPP4 (0.48) | ALDH1A1TSHRMAPTNPSR1MAPK1 | |
| SCHEMBL13955070 | 0.81 | DPP4 (0.49) | ALDH1A1TSHRMAPTNPSR1MAPK1 | |
| SCHEMBL13954914 | 0.80 | KMT2A (0.41) | ALDH1A1NPSR1MAPK1HTTMEN1 | |
| SCHEMBL9290394 | 0.80 | ADORA3 (0.40) | ALDH1A1TSHRMAPTNPSR1MAPK1 |
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-1797093-B1 | NOVEL 3-METHYL-7-BUTINYL-XANTHINES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INT (DE) | 2012-05-30 | — | — | EP | disclosed |