Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 9/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | COMT | P21964 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7258270 | 0.93 | CALCA (0.74) | CALCAADORA2AADORA1EGLN1KDM4E | |
| SCHEMBL4765294 | 0.93 | CALCA (0.64) | CALCAADORA2AADORA1KDM4E | |
| SCHEMBL4763683 | 0.93 | CALCA (0.64) | CALCAADORA2AADORA1COMT | |
| SCHEMBL4763112 | 0.92 | CALCA (0.61) | CALCAADORA2AADORA1EGLN1 | |
| SCHEMBL4766074 | 0.92 | CALCA (0.63) | CALCAADORA2AADORA1COMT | |
| SCHEMBL4765622 | 0.92 | CALCA (0.63) | CALCAADORA2AADORA1KDM4E | |
| SCHEMBL4767331 | 0.92 | CALCA (0.63) | CALCAADORA2AADORA1COMT | |
| SCHEMBL7262555 | 0.92 | CALCA (0.65) | CALCAADORA2AADORA1EGLN1KDM4E | |
| SCHEMBL4762250 | 0.91 | CALCA (0.61) | CALCAADORA2AADORA1EGLN1 | |
| Water SCHEMBL6250506 | 0.91 | CALCA (0.62) | CALCAADORA2AADORA1COMT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003077857-A2 | N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | disclosed |