Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL172335 | 1.00 | ALDH1A1 (0.35) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL25502244 | 1.00 | ALDH1A1 (0.35) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL276718 | 0.84 | TSHR (0.33) | ALDH1A1TSHR | |
| SCHEMBL19846891 | 0.84 | TSHR (0.39) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL24720708 | 0.83 | ALDH1A1 (0.32) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL21182199 | 0.81 | — | — | |
| SCHEMBL21283108 | 0.81 | ALDH1A1 (0.31) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL22547842 | 0.81 | — | — | |
| SCHEMBL13999385 | 0.81 | — | — | |
| SCHEMBL13995805 | 0.81 | — | — |
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-3636636-B1 | PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE | MITSUI CHEMICALS AGRO INC (JP) | 2022-07-06 | — | — | EP | disclosed |
| EP-3573940-B1 | POLYAMINOBORANES | CENTRE NAT RECH SCIENT (FR) | 2021-06-16 | — | — | EP | disclosed |
| EP-2771479-B1 | METHODS FOR INCREASING N-GLYCAN OCCUPANCY AND REDUCING PRODUCTION OF HYBRID N-GLYCANS IN PICHIA PASTORIS STRAINS LACKING ALG3 EXPRESSION | MERCK SHARP & DOHME (US) | 2020-01-08 | — | — | EP | disclosed |