Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 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 | |
|---|---|---|---|---|
| SCHEMBL5511774 | 0.82 | MTNR1B (0.47) | ALDH1A1MTNR1AMTNR1BPIK3CDPIK3CA | |
| SCHEMBL5511779 | 0.82 | MTNR1B (0.47) | ALDH1A1MTNR1AMTNR1BPIK3CDPIK3CA | |
| SCHEMBL5511776 | 0.82 | MTNR1B (0.47) | ALDH1A1MTNR1AMTNR1BPIK3CDPIK3CA | |
| SCHEMBL5520227 | 0.77 | ALDH1A1 (0.45) | CA1CA2ACHEALDH1A1GAA | |
| SCHEMBL1224568 | 0.75 | KIT (0.55) | CA1CA2ACHEMTNR1BEGFR | |
| SCHEMBL632999 | 0.73 | PIK3CD (0.51) | SLC2A1MTNR1AMTNR1BPIK3CDPIK3CA | |
| SCHEMBL22601784 | 0.72 | ALDH1A1 (0.55) | CA1CA2ACHEALDH1A1GAA | |
| SCHEMBL16204631 | 0.71 | ABCB1 (0.51) | CA1CA2ACHEALDH1A1GAA | |
| SCHEMBL20480178 | 0.71 | ABCB1 (0.50) | CA1CA2ACHEALDH1A1GAA | |
| SCHEMBL143840 | 0.71 | ABCB1 (0.50) | CA1CA2ACHEALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1799676-A2 | NEW BICYCLIC ANTIBIOTICS | Actelion Pharmaceuticals Ltd. (CH) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006032466-A2 | NEW BICYCLIC ANTIBIOTICS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-03-30 | — | — | WO | disclosed |