Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.37 |
| ▸ | GAA | P10253 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | JUN | P05412 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 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 | 0.85 | AKR1C3 (0.44) | AKR1C3AKR1C2SMN1; SMN2KDM4EGAA | |
| SCHEMBL2391174 | 0.82 | AKR1C3 (0.44) | AKR1C3AKR1C2SMN1; SMN2KDM4EGAA | |
| SCHEMBL2394180 | 0.79 | ESR1 (0.51) | AKR1C3SMN1; SMN2KDM4EGAAALDH1A1 | |
| SCHEMBL2865033 | 0.78 | CA1 (0.47) | SMN1; SMN2KDM4EGAAALDH1A1ESR1 | |
| SCHEMBL6855197 | 0.78 | CA1 (0.47) | SMN1; SMN2KDM4EGAAALDH1A1ESR1 | |
| SCHEMBL5160528 | 0.77 | KDM4E (0.48) | SMN1; SMN2KDM4EGAAALDH1A1HPGD | |
| SCHEMBL2390077 | 0.77 | ESR1 (0.36) | AKR1C3AKR1C2SMN1; SMN2KDM4EGAA | |
| SCHEMBL5175467 | 0.77 | KDM4E (0.50) | SMN1; SMN2KDM4EGAAALDH1A1HPGD | |
| SCHEMBL18010046 | 0.75 | AKR1C3 (0.47) | AKR1C3AKR1C2SMN1; SMN2KDM4EGAA | |
| SCHEMBL18010051 | 0.75 | AKR1C3 (0.47) | AKR1C3AKR1C2SMN1; SMN2KDM4EGAA |
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 |