Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3916786 | 0.86 | AGTR2 (0.43) | CTSLCTSBCTSKAGTR2NR1D1 | |
| SCHEMBL10516836 | 0.83 | AGTR2 (0.42) | CTSLCTSBCTSKAGTR2NR1D1 | |
| SCHEMBL5169425 | 0.77 | MAPT (0.44) | AGTR2HTTKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL7265611 | 0.76 | CTSL (0.49) | CTSLCTSBCTSKLMNA | |
| SCHEMBL7261216 | 0.76 | CTSL (0.49) | CTSLCTSBCTSKLMNA | |
| SCHEMBL7261215 | 0.76 | CTSL (0.49) | CTSLCTSBCTSKLMNA | |
| SCHEMBL13567995 | 0.74 | L3MBTL1 (0.46) | ALDH1A1LMNA | |
| SCHEMBL14367934 | 0.73 | SIGMAR1 (0.44) | CTSLCTSBCTSKAGTR2NR1D1 | |
| SCHEMBL8478967 | 0.73 | TACR1 (0.40) | CTSLCTSBCTSKAGTR2NR1D1 | |
| SCHEMBL5209947 | 0.73 | TSHR (0.50) | CTSLCTSBCTSKACHELMNA |
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 2 patents. 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 |
| US-7517532-B2 | Dihydroxypyridopyrazine-1,6-dione compounds useful as HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-04-14 | — | — | US | disclosed |