Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 6/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | PYGL | P06737 | 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 | |
|---|---|---|---|---|
| SCHEMBL9610079 | 0.72 | GAA (0.38) | CYP2D6SLC6A2SLC6A4SLC6A3PYGL | |
| SCHEMBL14282689 | 0.72 | TTBK1 (0.41) | MAP3K14 | |
| SCHEMBL9610093 | 0.69 | CYP3A4 (0.33) | — | |
| SCHEMBL9610078 | 0.69 | CYP3A4 (0.37) | CYP2D6SLC6A2SLC6A4SLC6A3PYGL | |
| SCHEMBL14355598 | 0.68 | — | — | |
| SCHEMBL9610113 | 0.68 | CYP3A4 (0.41) | MAP3K14 | |
| SCHEMBL14355601 | 0.67 | FLT4 (0.31) | — | |
| SCHEMBL9610092 | 0.66 | PTPN11 (0.37) | — | |
| SCHEMBL14355618 | 0.65 | — | — | |
| SCHEMBL9911389 | 0.65 | CYP3A4 (0.33) | — |
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 |