Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 12/20 | 0.44 |
| ▸ | CTSS | P25774 | 6/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9281071 | 0.87 | CA1 (0.55) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL12666832 | 0.87 | CA1 (0.55) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL6361613 | 0.87 | CA1 (0.55) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL3732945 | 0.82 | CTSK (0.44) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL28655924 | 0.81 | CA1 (0.46) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL28655925 | 0.81 | CA1 (0.46) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL26844951 | 0.81 | CA1 (0.49) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL28455191 | 0.81 | CTSK (0.49) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL12274268 | 0.80 | CA1 (0.51) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL4932075 | 0.80 | CA1 (0.51) | CA1CA2CA7CTSKCTSS |
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 |