Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 8/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GLS | O94925 | 1/20 | 0.34 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2497438 | 1.00 | CA1 (0.49) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL15215101 | 1.00 | CA1 (0.49) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL16317020 | 0.90 | CA1 (0.58) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL2492647 | 0.87 | CA1 (0.48) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL12191651 | 0.87 | CA1 (0.48) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL26748578 | 0.85 | CA1 (0.45) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL3198135 | 0.85 | CA1 (0.42) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL16690443 | 0.83 | CYP2D6 (0.47) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL16690460 | 0.83 | CA1 (0.44) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL5001764 | 0.83 | CA1 (0.45) | CA1CA2CA7CYP2D6CTSK |
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-2540720-B1 | 1,3,4,8-TETRAHYDRO-2H-PYRIDO[1,2-A]PYRAZINE DERIVATIVE AND USE OF SAME AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC (JP) | 2015-04-15 | — | — | EP | disclosed |