Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PLA2G4A | P47712 | 2/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL17986280 | 0.77 | TSHR (0.42) | PTGS2ALDH1A1TSHRKDM4EGAA | |
| SCHEMBL17986206 | 0.76 | TMEM97 (0.43) | ALDH1A1KDM4ERAB9ALMNARECQL | |
| SCHEMBL678302 | 0.74 | PTGS2 (0.62) | PTGS2ALDH1A1TSHRKDM4ERAB9A | |
| Aspirin SCHEMBL4160561 | 0.73 | PTGS2 (0.53) | PTGS2ALDH1A1TSHRKDM4ERAB9A | |
| Aspirin SCHEMBL4160555 | 0.73 | PTGS2 (0.53) | PTGS2ALDH1A1TSHRKDM4ERAB9A | |
| SCHEMBL4369867 | 0.72 | RXRA (0.42) | PTGS2ALDH1A1TTRHCAR3 | |
| SCHEMBL16599538 | 0.71 | KDM4E (0.47) | PTGS2ALDH1A1TSHRKDM4ELMNA | |
| SCHEMBL2960866 | 0.69 | TP53 (0.50) | PTGS2ALDH1A1TSHRKDM4EMAPT | |
| SCHEMBL27581275 | 0.69 | KDM4E (0.52) | PTGS2ALDH1A1TSHRKDM4ELMNA | |
| SCHEMBL1982730 | 0.69 | TSHR (0.63) | ALDH1A1TSHRKDM4EGAARAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3049386-B9 | COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES | UNIV KOELN (DE) | 2020-11-18 | — | — | EP | disclosed |
| EP-3049386-B1 | COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES | UNIV KOELN (DE) | 2020-07-22 | — | — | EP | disclosed |
| EP-3049386-A1 | COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES | Universität zu Köln (DE) | 2016-08-03 | — | — | EP | disclosed |
| WO-2015044177-A1 | COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES | UNIVERSITÄT ZU KÖLN (DE) | 2015-04-02 | — | — | WO | disclosed |