Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4867909 | 0.82 | KDM4E (0.49) | KDM4EALDH1A1PIK3CDPOLBNQO2 | |
| SCHEMBL11486230 | 0.81 | ALDH1A1 (0.39) | KDM4EALDH1A1PKMPOLBGAA | |
| SCHEMBL6645268 | 0.79 | — | — | |
| SCHEMBL1712876 | 0.77 | — | — | |
| SCHEMBL19348130 | 0.76 | KDM4E (0.43) | KDM4EALDH1A1PIK3CDPOLBNQO2 | |
| SCHEMBL7625881 | 0.75 | — | — | |
| SCHEMBL17162612 | 0.75 | — | — | |
| SCHEMBL510010 | 0.75 | — | — | |
| SCHEMBL2037199 | 0.75 | — | — | |
| SCHEMBL2781821 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5298499-A | S-2-(substituted ethylamino)ethyl phosphorothioates | RESEARCH TRIANGLE INSTITUTE (US) | 1994-03-29 | — | — | US | disclosed |
| US-4209628-A | FROM CARBON DIOXIDE AND AN AZIRIDINE | TOKYO INSTITUTE OF TECHNOLOGY (JP) | 1980-06-24 | — | — | US | disclosed |
| US-4208522-A | POLYMER STABILIZERS | CIBA-GEIGY CORPORATION (US) | 1980-06-17 | — | — | US | disclosed |
| US-4125517-A | ULTRAVIOLET RADIATION | CIBA-GEIGY CORPORATION (US) | 1978-11-14 | — | — | US | disclosed |
| US-4051137-A | Substituted piperazine diones and polymeric compositions stabilized thereby | CIBA-GEIGY CORPORATION (US) | 1977-09-27 | — | — | US | disclosed |