Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL21709060 | 0.87 | ACHE (0.43) | ACHESMN1; SMN2KDM4EALDH1A1GLA | |
| SCHEMBL6816185 | 0.82 | KMT2A (0.36) | SIGMAR1POLBATMSLC2A1DRD2 | |
| SCHEMBL21709074 | 0.81 | ATM (0.63) | SMN1; SMN2POLBATMSLC2A1KDM4E | |
| SCHEMBL21709158 | 0.78 | ACHE (0.36) | ACHESMN1; SMN2KDM4EALDH1A1GLA | |
| SCHEMBL1548670 | 0.78 | POLB (0.48) | SMN1; SMN2POLBATMSLC2A1KDM4E | |
| SCHEMBL21709066 | 0.78 | KDM4E (0.51) | SMN1; SMN2ATMKDM4EALDH1A1GLA | |
| SCHEMBL21709163 | 0.76 | ACHE (0.37) | ACHE | |
| SCHEMBL21709182 | 0.75 | CA1 (0.43) | KMT2A | |
| SCHEMBL21708876 | 0.75 | ACHE (0.34) | ACHE | |
| SCHEMBL2780581 | 0.75 | SMN1; SMN2 (0.47) | ACHESMN1; SMN2POLBATMKDM4E |
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 |