Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2391055 | 0.89 | AKR1C3 (0.44) | AKR1C3AKR1C2MAPTPLA2G1BATG4B | |
| SCHEMBL2391349 | 0.82 | AKR1C3 (0.45) | AKR1C3AKR1C2KDM4EALDH1A1HPGD | |
| SCHEMBL2393450 | 0.79 | ESR1 (0.46) | AKR1C3MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL2265390 | 0.77 | HCAR2 (0.48) | MAPTKDM4EALDH1A1HPGDLMNA | |
| SCHEMBL2265382 | 0.77 | HCAR2 (0.48) | MAPTKDM4EALDH1A1HPGDLMNA | |
| SCHEMBL6855197 | 0.74 | CA1 (0.47) | MAPTKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL2865033 | 0.74 | CA1 (0.47) | MAPTKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL9515747 | 0.74 | PTGER3 (0.43) | MAPTPLA2G1BATG4BKDM4EALDH1A1 | |
| SCHEMBL2388955 | 0.74 | ESR1 (0.47) | AKR1C3MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL18010046 | 0.74 | AKR1C3 (0.47) | AKR1C3AKR1C2KDM4EALDH1A1HPGD |
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 |