Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.50 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.48 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2554827 | 0.89 | ALDH1A3 (0.47) | ALDH1A3TAS1R3TAS1R1ALDH1A1SMN1; SMN2 | |
| SCHEMBL2562992 | 0.89 | ALDH1A3 (0.50) | ALDH1A3TAS1R3TAS1R1ALDH1A1SMN1; SMN2 | |
| SCHEMBL2557252 | 0.85 | ALDH1A3 (0.56) | ALDH1A3ALDH1A1DRD1GAACYP2A6 | |
| SCHEMBL29951462 | 0.85 | OGG1 (0.43) | TAS1R3TAS1R1ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL21063868 | 0.84 | TSHR (0.52) | TAS1R3TAS1R1ALDH1A1SMN1; SMN2ACACB | |
| SCHEMBL29955555 | 0.82 | ALDH1A3 (0.53) | ALDH1A3ALDH1A1SMN1; SMN2DRD1GAA | |
| SCHEMBL2558483 | 0.80 | ALDH1A3 (0.58) | ALDH1A3ALDH1A1SMN1; SMN2DRD1KMT2A | |
| SCHEMBL15333466 | 0.80 | ALDH1A3 (0.50) | ALDH1A3ALDH1A1SMN1; SMN2DRD1GAA | |
| SCHEMBL2557689 | 0.78 | ALDH1A1 (0.58) | ALDH1A3ALDH1A1SMN1; SMN2DRD1GAA | |
| SCHEMBL10455042 | 0.78 | ALDH1A3 (0.63) | ALDH1A3ALDH1A1SMN1; SMN2DRD1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |