Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18753448 | 0.87 | LMNA (0.51) | ALDH1A1LMNATSHRCYP1A2CYP2C9 | |
| SCHEMBL18753740 | 0.84 | LMNA (0.48) | ALDH1A1LMNATSHRCYP1A2CYP2C9 | |
| SCHEMBL21650827 | 0.83 | ALDH1A1 (0.47) | ALDH1A1LMNATSHRCYP1A2CYP2C9 | |
| SCHEMBL18753793 | 0.83 | CYP2D6 (0.47) | TSHRCYP1A2CYP2C9CYP2C19EPHX2 | |
| SCHEMBL18753362 | 0.81 | PKM (0.52) | ALDH1A1CYP2C9EPHX2KMT2AMEN1 | |
| SCHEMBL19561892 | 0.80 | ALDH1A1 (0.53) | ALDH1A1LMNATSHRCYP1A2CYP2C9 | |
| SCHEMBL19561834 | 0.80 | LMNA (0.45) | ALDH1A1LMNATSHRHTTSMN1; SMN2 | |
| SCHEMBL18753865 | 0.78 | LMNA (0.58) | ALDH1A1LMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19562111 | 0.77 | CYP2D6 (0.43) | ALDH1A1TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18753861 | 0.77 | MGLL (0.45) | CYP2C9CYP2C19 |
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-2448582-B1 | QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY | AGIOS PHARMACEUTICALS INC (US) | 2017-04-19 | — | — | EP | disclosed |