Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3904597 | 1.00 | MEN1 (0.42) | MEN1KMT2ACYP2C9CYP2C19POLB | |
| SCHEMBL13878948 | 0.84 | HTT (0.42) | MEN1KMT2APOLBALDH1A1 | |
| SCHEMBL13868447 | 0.82 | KMT2A (0.41) | MEN1KMT2A | |
| SCHEMBL3904433 | 0.82 | KMT2A (0.41) | MEN1KMT2A | |
| SCHEMBL13868383 | 0.79 | BRD4 (0.45) | MEN1KMT2ACYP2C9CYP2C19POLB | |
| SCHEMBL13868382 | 0.79 | BRD4 (0.45) | CYP2C9CYP2C19POLBCYP3A4ALDH1A1 | |
| SCHEMBL3906448 | 0.79 | HTT (0.46) | KMT2ACYP2C9CYP2C19POLBCYP3A4 | |
| SCHEMBL3914695 | 0.77 | HTT (0.44) | MEN1KMT2A | |
| SCHEMBL13868384 | 0.73 | BRD4 (0.46) | MEN1KMT2ACYP2C9CYP2C19POLB | |
| SCHEMBL3902825 | 0.73 | ALDH1A1 (0.44) | MEN1KMT2AALDH1A1 |
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-7517532-B2 | Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-04-14 | — | — | US | disclosed |