Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.74 |
| ▸ | PPARG | P37231 | 1/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.65 |
| ▸ | MAPT | P10636 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | TP53 | P04637 | 2/20 | 0.65 |
| ▸ | CASP1 | P29466 | 2/20 | 0.65 |
| ▸ | CASP7 | P55210 | 2/20 | 0.65 |
| ▸ | MAOA | P21397 | 2/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.58 |
| ▸ | DPP4 | P27487 | 1/20 | 0.58 |
| ▸ | XDH | P47989 | 1/20 | 0.58 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.56 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.55 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.55 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL21275469 | 1.00 | ABCG2 (0.74) | ABCG2PPARGKDM4ECYP3A4MAPT | |
| SCHEMBL30002854 | 0.96 | ABCG2 (0.74) | ABCG2PPARGKDM4ECYP3A4MAPT | |
| SCHEMBL5792138 | 0.96 | ABCG2 (0.74) | ABCG2PPARGKDM4ECYP3A4MAPT | |
| SCHEMBL4264761 | 0.89 | L3MBTL1 (0.65) | ABCG2PPARGKDM4ECYP3A4MAPT | |
| SCHEMBL38650680 | 0.87 | ABCG2 (0.83) | ABCG2PPARGKDM4ECYP3A4MAPT | |
| SCHEMBL28536757 | 0.87 | ABCG2 (0.83) | ABCG2PPARGKDM4ECYP3A4MAPT | |
| SCHEMBL2629300 | 0.86 | ABCG2 (1.00) | ABCG2KDM4ECYP3A4MAPTLMNA | |
| SCHEMBL12621081 | 0.85 | ABCB1 (0.62) | ABCG2PPARGKDM4ECYP3A4MAPT | |
| SCHEMBL12691368 | 0.84 | L3MBTL1 (0.53) | ABCG2PPARGCYP3A4MAPTTP53 | |
| SCHEMBL21275449 | 0.84 | PPARG (0.71) | ABCG2PPARGKDM4ECYP3A4ADORA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3755693-B1 | AGENTS AND METHODS FOR TREATING DYSPROLIFERATIVE DISEASES | MEMORIAL SLOAN KETTERING CANCER CENTER (US) | 2024-06-12 | — | — | EP | disclosed |
| EP-4322940-A1 | SYNTHETIC ROCAGLATES WITH BROAD-SPECTRUM ANTIVIRAL ACTIVITIES AND USES THEREOF | Memorial Sloan-Kettering Cancer Center (US) | 2024-02-21 | — | — | EP | disclosed |
| WO-2022221519-A1 | SYNTHETIC ROCAGLATES WITH BROAD-SPECTRUM ANTIVIRAL ACTIVITIES AND USES THEREOF | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2022-10-20 | — | — | WO | disclosed |