Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 4/20 | 0.33 |
| ▸ | CA2 | P00918 | 4/20 | 0.33 |
| ▸ | CA4 | P22748 | 4/20 | 0.33 |
| ▸ | CA9 | Q16790 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | MMP7 | P09237 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5191931 | 0.84 | CA1 (0.34) | CA1CA2CA4CA9MMP1 | |
| SCHEMBL5195643 | 0.75 | MMP8 (0.35) | CA1CA2CA4CA9ALDH1A1 | |
| SCHEMBL2919209 | 0.73 | TSHR (0.36) | CA1CA2CA4CA9 | |
| SCHEMBL25154636 | 0.70 | SLC6A1 (0.40) | CA1CA2CA4CA9MMP1 | |
| SCHEMBL3624075 | 0.69 | CA1 (0.34) | CA1CA2CA4CA9 | |
| SCHEMBL2917654 | 0.68 | KDM4E (0.37) | — | |
| SCHEMBL5190158 | 0.68 | PARP1 (0.36) | CA1CA2CA4CA9 | |
| SCHEMBL5195457 | 0.66 | FHIT (0.34) | CA1CA2CA4CA9 | |
| SCHEMBL5195326 | 0.64 | LMNA (0.39) | CA1CA2CA4CA9 | |
| SCHEMBL1087766 | 0.64 | ALOX5AP (0.36) | CA1CA2CA4CA9MMP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0968206-B8 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX INC (US) | 2007-01-24 | — | — | EP | disclosed |
| EP-0968206-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998037079-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 1998-08-27 | — | — | WO | disclosed |