Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.57 |
| ▸ | ATIC | P31939 | 5/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | NFKBIA | P25963 | 2/20 | 0.42 |
| ▸ | RELA | Q04206 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17801496 | 0.88 | ATIC (0.51) | THRBATICTP53MAPT | |
| SCHEMBL17801458 | 0.82 | ATIC (0.46) | THRBATIC | |
| SCHEMBL17801475 | 0.80 | MEN1 (0.53) | THRBTP53MAPTMEN1KMT2A | |
| SCHEMBL17808588 | 0.78 | ATIC (0.67) | THRBATICTP53MAPTMEN1 | |
| SCHEMBL17801597 | 0.78 | ATIC (0.50) | THRBATIC | |
| SCHEMBL17801538 | 0.75 | ATIC (0.47) | THRBATICTP53MAPTPOLB | |
| SCHEMBL17801608 | 0.75 | ATIC (0.46) | THRBATIC | |
| SCHEMBL17801533 | 0.72 | ATIC (0.73) | THRBATIC | |
| SCHEMBL17801500 | 0.72 | ATIC (0.54) | ATIC | |
| SCHEMBL17808590 | 0.66 | ATIC (0.69) | THRBATIC |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3227279-A1 | 1 -OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS | Eli Lilly and Company (US) | 2017-10-11 | — | — | EP | disclosed |
| WO-2016089670-A1 | 1 -OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS | ELI LILLY AND COMPANY (US) | 2016-06-09 | — | — | WO | disclosed |