Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 4/20 | 0.37 |
| ▸ | CTSS | P25774 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9800645 | 0.88 | MEN1 (0.41) | TDP1GAAMEN1KMT2ACTSK | |
| SCHEMBL23332643 | 0.87 | MAOA (0.43) | TDP1GAAMEN1KMT2ACYP1A2 | |
| SCHEMBL22398295 | 0.85 | CYP2D6 (0.40) | CYP2D6TDP1MAPTGAACYP1A2 | |
| SCHEMBL14586331 | 0.85 | CYP1A2 (0.52) | MAPTALDH1A1HPGDTSHRGAA | |
| SCHEMBL3497199 | 0.84 | CYP2D6 (0.38) | CYP2D6TDP1MAPTALDH1A1HPGD | |
| SCHEMBL23332621 | 0.82 | SERPINE1 (0.39) | TDP1ALDH1A1TSHRGAAMEN1 | |
| SCHEMBL23332641 | 0.82 | CTSL (0.50) | TDP1MAPTALDH1A1GAAMEN1 | |
| SCHEMBL22398797 | 0.82 | SYK (0.51) | TDP1MAPTALDH1A1GAACTSS | |
| SCHEMBL30826518 | 0.81 | CYP2D6 (0.42) | CYP2D6TDP1MAPTGAAKMT2A | |
| SCHEMBL23332856 | 0.81 | CTSS (0.40) | TDP1MAPTALDH1A1GAAMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021085636-A1 | REACTION AGENT FOR AMIDE REACTIONS AND AMIDE COMPOUND PRODUCTION METHOD USING SAME | 学校法人中部大学 | 2021-05-06 | — | — | WO | disclosed |