Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL10643935 | 0.99 | ALDH1A1 (0.39) | ALDH1A1TSHRTP53KMT2AGAA | |
| SCHEMBL10543701 | 0.92 | ALDH1A1 (0.39) | ALDH1A1TSHRTP53KMT2AGAA | |
| SCHEMBL10721549 | 0.91 | ALDH1A1 (0.38) | ALDH1A1TSHRTP53KMT2AGAA | |
| SCHEMBL10643944 | 0.90 | ALDH1A1 (0.39) | ALDH1A1TSHRTP53KMT2AGAA | |
| SCHEMBL10544600 | 0.88 | ALDH1A1 (0.40) | ALDH1A1TSHRTP53KMT2AGAA | |
| SCHEMBL10721877 | 0.87 | HDAC1 (0.41) | ALDH1A1TSHRTP53KMT2AGAA | |
| SCHEMBL10546644 | 0.85 | ALDH1A1 (0.38) | ALDH1A1TSHRTP53KMT2AGAA | |
| SCHEMBL10769861 | 0.84 | ALDH1A1 (0.39) | ALDH1A1TSHRTP53KMT2AGAA | |
| SCHEMBL11179902 | 0.83 | ALDH1A1 (0.46) | ALDH1A1TSHRTP53KMT2AGAA | |
| SCHEMBL10546563 | 0.83 | NAAA (0.39) | ALDH1A1TSHRTP53KMT2AMEN1 |
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-0219923-A1 | Antibiotic derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1987-04-29 | — | — | EP | disclosed |
| EP-0191989-A1 | Antibiotic isoxazole derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1986-08-27 | — | — | EP | disclosed |