Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | CA7 | P43166 | 1/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.59 |
| ▸ | TTR | P02766 | 1/20 | 0.59 |
| ▸ | DPP4 | P27487 | 1/20 | 0.59 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | FDPS | P14324 | 1/20 | 0.48 |
| ▸ | MET | P08581 | 3/20 | 0.48 |
| ▸ | CNKSR1 | Q969H4 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11216267 | 0.91 | CYP3A4 (0.58) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL11216265 | 0.91 | CYP3A4 (0.58) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL30888509 | 0.90 | CYP3A4 (0.57) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL2391714 | 0.84 | MAOB (0.55) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL8937527 | 0.83 | CYP3A4 (0.59) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL7996591 | 0.83 | CYP3A4 (0.68) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL8937530 | 0.83 | CYP3A4 (0.59) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL2389160 | 0.83 | CYP3A4 (0.68) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL2388953 | 0.83 | TTR (0.76) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL7369390 | 0.83 | TTR (0.76) | CYP3A4CA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE42700-E1 | Induction of apoptosis in cancer cells | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) | 2011-09-13 | — | — | US | disclosed |