Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KIF11 | P52732 | 1/20 | 0.52 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.47 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | AKT2 | P31751 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18639619 | 0.98 | CYP2C9 (0.54) | CYP2C9KMT2AMEN1KIF11PTPN5 | |
| SCHEMBL17111066 | 0.89 | KMT2A (0.46) | CYP2C9KMT2AMEN1KIF11PTPN5 | |
| SCHEMBL4506291 | 0.85 | CYP2C9 (0.56) | CYP2C9KMT2AKIF11PTPN5MMP3 | |
| SCHEMBL429422 | 0.85 | CYP2C9 (0.56) | CYP2C9KMT2AKIF11PTPN5MMP3 | |
| SCHEMBL9279490 | 0.85 | CYP2C9 (0.56) | CYP2C9KMT2AKIF11PTPN5MMP3 | |
| SCHEMBL249404 | 0.84 | KMT2A (0.55) | CYP2C9KMT2AMEN1ALDH1A1ESR1 | |
| Ammonia Solution, Strong SCHEMBL11855911 | 0.81 | KMT2A (0.52) | CYP2C9KMT2AMEN1ALDH1A1ESR1 | |
| SCHEMBL6982792 | 0.79 | RXRA (0.53) | CYP2C9KIF11PTPN5CYP3A4CYP17A1 | |
| SCHEMBL25489530 | 0.79 | CYP2C9 (0.60) | CYP2C9KIF11PTPN5MMP3BCL2L1 | |
| SCHEMBL3421942 | 0.79 | KIF11 (0.59) | CYP2C9KIF11PTPN5ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11664093-B2 | Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-05-30 | — | — | US | disclosed |
| EP-3141958-A2 | CHEMICALLY AMPLIFIED RESIST MATERIAL AND RESIST PATTERN-FORMING METHOD | JSR Corporation (JP) | 2017-03-15 | — | — | EP | disclosed |
| EP-3133444-A1 | CHEMICALLY AMPLIFIED RESIST MATERIAL, PATTERN-FORMING METHOD, COMPOUND, AND PRODUCTION METHOD OF COMPOUND | OSAKA UNIVERSITY (JP) | 2017-02-22 | — | — | EP | disclosed |
| EP-3133445-A1 | CHEMICALLY AMPLIFIED RESIST MATERIAL | OSAKA UNIVERSITY (JP) | 2017-02-22 | — | — | EP | disclosed |