Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PLAU | P00749 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10377606 | 0.75 | ALDH1A1 (0.52) | SMN1; SMN2PLAUALDH1A1PLK1NQO2 | |
| SCHEMBL10377605 | 0.75 | ALDH1A1 (0.52) | SMN1; SMN2PLAUALDH1A1PLK1NQO2 | |
| SCHEMBL20713868 | 0.74 | SMN1; SMN2 (0.57) | SMN1; SMN2PLAUALDH1A1MAOAIDO1 | |
| SCHEMBL14565742 | 0.69 | SMN1; SMN2 (0.61) | SMN1; SMN2PLAUALDH1A1IDO1PLK1 | |
| SCHEMBL20197058 | 0.67 | ALDH1A1 (0.34) | SMN1; SMN2ALDH1A1TDP1CYP2C9KMT2A | |
| SCHEMBL14291952 | 0.66 | SMN1; SMN2 (0.57) | SMN1; SMN2PLAUALDH1A1MAOAIDO1 | |
| SCHEMBL14950345 | 0.66 | SMN1; SMN2 (0.52) | SMN1; SMN2PLAUALDH1A1IDO1PLK1 | |
| SCHEMBL16489291 | 0.66 | SMN1; SMN2 (0.57) | SMN1; SMN2PLAUALDH1A1IDO1PLK1 | |
| SCHEMBL14852983 | 0.66 | SMN1; SMN2 (0.57) | SMN1; SMN2PLAUALDH1A1MAOAIDO1 | |
| SCHEMBL19073673 | 0.66 | SMN1; SMN2 (0.52) | SMN1; SMN2PLAUALDH1A1IDO1PLK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3939968-A1 | NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME | Medicinal Bioconvergence Research Center (KR) | 2022-01-19 | — | — | EP | disclosed |