Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL7855705 | 0.90 | SIRT1 (0.45) | KIF11SIRT1ALDH1A1MAPT | |
| SCHEMBL7683405 | 0.88 | KIF11 (0.38) | KIF11ABCG2KDM4ENPSR1ALDH1A1 | |
| SCHEMBL7851436 | 0.82 | ABCG2 (0.42) | KIF11ABCG2DHODHCYP2D6OPRM1 | |
| SCHEMBL7683829 | 0.79 | LMNA (0.46) | KIF11KDM4EHTR2AHTR2CSIRT1 | |
| SCHEMBL7843396 | 0.75 | TP53 (0.57) | KIF11ABCG2KDM4ESIRT1ABCB1 | |
| SCHEMBL7847564 | 0.75 | SIRT1 (0.47) | KIF11ABCG2DHODHHTR2AHTR2C | |
| SCHEMBL7855327 | 0.75 | KIF11 (0.47) | KIF11ABCG2SIRT1ABCB1ALDH1A1 | |
| SCHEMBL7854615 | 0.74 | KIF11 (0.52) | KIF11ABCG2SIRT1ABCB1ALDH1A1 | |
| SCHEMBL7852593 | 0.74 | LMNA (0.46) | KIF11SIRT1MAPT | |
| SCHEMBL7853673 | 0.73 | MAPKAPK2 (0.49) | ABCG2SIRT1ABCB1ALDH1A1MAPT |
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-1070716-A1 | Beta-carboline derivatives, process for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 2001-01-24 | — | — | EP | disclosed |