Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1724006 | 0.84 | CCNA2 (0.43) | THRBMAPK14ADORA2AADORA1KMO | |
| SCHEMBL1722768 | 0.81 | KMO (0.41) | MAPK14ADORA2AADORA1KMOALDH1A1 | |
| SCHEMBL1726345 | 0.81 | CTSS (0.55) | ADORA2AADORA1KMOALDH1A1KDM4E | |
| SCHEMBL1723707 | 0.81 | KDM4E (0.41) | THRBMAPK14ADORA2AADORA1ALDH1A1 | |
| SCHEMBL1722891 | 0.80 | KMO (0.57) | ADORA2AADORA1KMOALDH1A1KDM4E | |
| SCHEMBL1723942 | 0.79 | PARP1 (0.48) | ADORA2AADORA1KMOALDH1A1KDM4E | |
| Formic Acid SCHEMBL1725166 | 0.77 | KMO (0.53) | ADORA2AADORA1KMOALDH1A1KDM4E | |
| SCHEMBL1725164 | 0.76 | KMO (0.44) | ADORA2AADORA1KMOALDH1A1SMN1; SMN2 | |
| SCHEMBL16068107 | 0.72 | KMO (0.44) | THRBMAPK14ADORA2AADORA1KMO | |
| SCHEMBL1722035 | 0.72 | NFKBIA (0.43) | ADORA2AADORA1ALDH1A1KDM4EHPGD |
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 |