Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PGK1 | P00558 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL21709052 | 0.78 | ACHE (0.43) | ACHESMN1; SMN2KDM4EALDH1A1GLA | |
| SCHEMBL21709163 | 0.76 | ACHE (0.37) | ACHEHTR2A | |
| SCHEMBL21709060 | 0.75 | ACHE (0.43) | ACHESMN1; SMN2KDM4EALDH1A1GLA | |
| SCHEMBL24337163 | 0.69 | MAOA (0.39) | ACHESMN1; SMN2KDM4EALDH1A1GLA | |
| SCHEMBL21708876 | 0.69 | ACHE (0.34) | ACHEPGK1HTR2A | |
| SCHEMBL21709077 | 0.68 | CA12 (0.43) | ACHESMN1; SMN2HTR2A | |
| SCHEMBL21709074 | 0.66 | ATM (0.63) | SMN1; SMN2KDM4EALDH1A1GLA | |
| SCHEMBL19640138 | 0.66 | CYP4F2 (0.40) | SMN1; SMN2KDM4EALDH1A1GLAGAA | |
| SCHEMBL29544982 | 0.65 | SMN1; SMN2 (0.38) | ACHESMN1; SMN2GAATSHRPGK1 | |
| SCHEMBL29545113 | 0.65 | SMN1; SMN2 (0.38) | SMN1; SMN2GAATSHRPGK1HTR2A |
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-2020032080-A1 | COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND | 学校法人慶應義塾 | 2020-02-13 | — | — | WO | disclosed |