Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTBK1 | Q5TCY1 | 3/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | GCK | P35557 | 1/20 | 0.32 |
| ▸ | GCKR | Q14397 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MAP3K14 | Q99558 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12955414 | 0.85 | PTPN11 (0.35) | — | |
| SCHEMBL2912869 | 0.75 | TTBK1 (0.35) | TTBK1HTTL3MBTL1MAP3K14 | |
| SCHEMBL14355610 | 0.74 | TRPA1 (0.35) | — | |
| SCHEMBL152108 | 0.71 | EGLN2 (0.43) | AR | |
| SCHEMBL14387346 | 0.69 | SMN1; SMN2 (0.38) | ARSMN1; SMN2 | |
| SCHEMBL11401297 | 0.69 | CYP3A4 (0.48) | TTBK1HTTL3MBTL1SMN1; SMN2 | |
| SCHEMBL30953757 | 0.69 | ALDH1A1 (0.42) | TTBK1GCKGCKRARL3MBTL1 | |
| SCHEMBL15944033 | 0.67 | AR (0.33) | ARL3MBTL1 | |
| SCHEMBL20475901 | 0.67 | TTBK1 (0.38) | TTBK1MAP3K14 | |
| SCHEMBL20870141 | 0.66 | PGK1 (0.36) | TTBK1L3MBTL1SMN1; SMN2 |
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-7300948-B2 | Alkynyl compounds as non nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-11-27 | — | — | US | disclosed |