Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30678320 | 1.00 | ALDH1A1 (0.48) | ALDH1A1KMT2AHTTMEN1HSP90AA1 | |
| SCHEMBL11107765 | 1.00 | ALDH1A1 (0.48) | ALDH1A1KMT2AHTTMEN1HSP90AA1 | |
| SCHEMBL26077843 | 0.96 | ALDH1A1 (0.44) | ALDH1A1KMT2AHTTMEN1HSP90AA1 | |
| SCHEMBL7998429 | 0.96 | ALDH1A1 (0.44) | ALDH1A1KMT2AHTTMEN1HSP90AA1 | |
| SCHEMBL30474075 | 0.91 | UGT2B7 (0.47) | ALDH1A1KMT2AHTTMEN1HSP90AA1 | |
| SCHEMBL9859659 | 0.83 | KMT2A (0.46) | ALDH1A1KMT2AHTTMEN1HSP90AA1 | |
| SCHEMBL12608372 | 0.82 | DRD1 (0.49) | — | |
| SCHEMBL12608371 | 0.82 | ADCY6 (0.50) | UGT2B7 | |
| SCHEMBL22682031 | 0.79 | KDM4C (0.43) | ALDH1A1KMT2AHTTMEN1HSP90AA1 | |
| SCHEMBL9418955 | 0.79 | KARS1 (0.42) | KMT2AMEN1CYP2C19CYP2D6CYP3A4 |
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-4556458-A1 | AROMATIC COMPOUND, MIXTURE, MOLECULAR PROBE FOR HYPERPOLARIZATION, METABOLITE, DIAGNOSTIC AGENT, DERIVATIZATION AGENT, NAPHTHALENE DERIVATIVE, CATECHOL DERIVATIVE, AND COMPOUND | OSAKA UNIVERSITY (JP) | 2025-05-21 | — | — | EP | disclosed |
| WO-2024014325-A1 | AROMATIC COMPOUND, MIXTURE, MOLECULAR PROBE FOR HYPERPOLARIZATION, METABOLITE, DIAGNOSTIC AGENT, DERIVATIZATION AGENT, NAPHTHALENE DERIVATIVE, CATECHOL DERIVATIVE, AND COMPOUND | 国立大学法人大阪大学 | 2024-01-18 | — | — | WO | disclosed |