Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2391253 | 0.87 | CYP3A4 (0.46) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL2392199 | 0.86 | MAOB (0.55) | CYP3A4DPP4MAOBFDPSALOX5 | |
| SCHEMBL2390189 | 0.85 | TTR (0.52) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL6022694 | 0.85 | ALDH1A1 (0.46) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL6022698 | 0.85 | ALDH1A1 (0.46) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL2392289 | 0.81 | KDM4E (0.52) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL27537154 | 0.81 | KDM4E (0.52) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL2387614 | 0.78 | TTR (0.50) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL2391351 | 0.78 | TTR (0.50) | CYP3A4TTRDPP4CA12CA1 | |
| SCHEMBL16077416 | 0.78 | MAOB (0.48) | CYP3A4TTRDPP4CA12CA1 |
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 |