Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.49 |
| ▸ | KIF11 | P52732 | 3/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | NGFR | P08138 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR1E | P28566 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL23108944 | 0.76 | KIF11 (0.43) | SIRT1KIF11 | |
| SCHEMBL23102843 | 0.74 | KIF11 (0.43) | SIRT1KIF11PARP1PDE10A | |
| SCHEMBL8045722 | 0.72 | NGFR (0.50) | SIRT1KIF11ARPARP1CA12 | |
| Hydrochloric Acid SCHEMBL9541769 | 0.72 | HTR6 (0.38) | SIRT1KIF11ARPARP1CA12 | |
| SCHEMBL6252844 | 0.68 | CDK5 (0.42) | SIRT1ARPARP1CA12CA9 | |
| SCHEMBL3116596 | 0.68 | HSD17B10 (0.53) | SIRT1PARP1HTR6CYP2A6KEAP1 | |
| SCHEMBL29409549 | 0.68 | PARP1 (0.61) | KIF11ARPARP1CA12CA9 | |
| SCHEMBL64307 | 0.68 | PARP1 (0.61) | KIF11ARPARP1CA12CA9 | |
| SCHEMBL29683700 | 0.68 | PARP1 (0.61) | KIF11ARPARP1CA12CA9 | |
| SCHEMBL1770840 | 0.67 | AR (0.55) | ARPARP1CA12CA9NGFR |
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-1993010119-A1 | HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-05-27 | — | — | WO | disclosed |