Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.43 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1725601 | 0.84 | THRB (0.44) | ADORA2AADORA1KMOKDM4EALDH1A1 | |
| SCHEMBL1726345 | 0.81 | CTSS (0.55) | ADORA2AADORA1KMOKDM4EALDH1A1 | |
| SCHEMBL1722768 | 0.81 | KMO (0.41) | ADORA2AADORA1EGFRKMOKDM4E | |
| SCHEMBL1722891 | 0.80 | KMO (0.57) | ADORA2AADORA1KMOKDM4EALDH1A1 | |
| SCHEMBL1723942 | 0.79 | PARP1 (0.48) | ADORA2AADORA1KMOKDM4EALDH1A1 | |
| SCHEMBL31026163 | 0.78 | ADORA2A (0.49) | ADORA2AEGFRKDM4EALDH1A1HTT | |
| SCHEMBL22715955 | 0.78 | ADORA2A (0.49) | ADORA2AEGFRKDM4EALDH1A1HTT | |
| Formic Acid SCHEMBL1725166 | 0.77 | KMO (0.53) | ADORA2AADORA1KMOKDM4EALDH1A1 | |
| SCHEMBL1725164 | 0.76 | KMO (0.44) | ADORA2AADORA1EGFRKMOALDH1A1 | |
| SCHEMBL13187651 | 0.74 | MPL (0.47) | KMOTSHRNPSR1HSD17B10MAPK14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2403833-A1 | 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS | Sirtris Pharmaceuticals, Inc. (US) | 2012-01-11 | — | — | EP | disclosed |
| WO-2010101949-A1 | 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2010-09-10 | — | — | WO | disclosed |
| WO-2010101949-A1 | 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2010-09-10 | — | — | WO | disclosed |