Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.69 |
| ▸ | ALPG | P10696 | 2/20 | 0.57 |
| ▸ | ALPI | P09923 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5730977 | 0.82 | CYP19A1 (1.00) | CYP19A1ALPGALPITDP1PLAA | |
| SCHEMBL76457 | 0.81 | EGFR (0.51) | CYP19A1CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL410676 | 0.81 | CYP19A1 (0.97) | CYP19A1ALPGALPITDP1PLAA | |
| SCHEMBL7115992 | 0.80 | CYP19A1 (0.72) | CYP19A1ALPGALPITDP1PLAA | |
| SCHEMBL20033132 | 0.80 | CYP19A1 (0.58) | CYP19A1ALPGALPITDP1PLAA | |
| Hydrochloric Acid SCHEMBL7251569 | 0.78 | ALPG (0.60) | CYP19A1ALPGALPITDP1PLAA | |
| SCHEMBL9663730 | 0.76 | CYP19A1 (1.00) | CYP19A1ALPGALPITDP1PLAA | |
| SCHEMBL11239175 | 0.74 | CYP19A1 (0.60) | CYP19A1CYP11B1CYP11B2CA12 | |
| SCHEMBL27559825 | 0.74 | CYP19A1 (0.79) | CYP19A1ALPGALPITDP1PLAA | |
| SCHEMBL11714136 | 0.73 | L3MBTL1 (0.64) | TDP1L3MBTL1LMNAMAPT |
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-0556393-B1 | FUSED PYRAZINE DERIVATIVE | YAMANOUCHI PHARMA CO LTD (JP) | 2000-07-26 | — | — | EP | disclosed |
| US-5283244-A | Anticonvulsants, nervous system disorders | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1994-02-01 | — | — | US | disclosed |
| EP-0556393-A1 | FUSED PYRAZINE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1993-08-25 | — | — | EP | disclosed |