Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.47 |
| ▸ | LPL | P06858 | 2/20 | 0.46 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.46 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.46 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.46 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29955383 | 0.98 | SMN1; SMN2 (0.58) | SMN1; SMN2ALDH1A1PRMT6TDP1ENPP2 | |
| SCHEMBL2248354 | 0.98 | SMN1; SMN2 (0.63) | SMN1; SMN2ALDH1A1PRMT6TDP1ENPP2 | |
| SCHEMBL29955283 | 0.98 | SMN1; SMN2 (0.63) | SMN1; SMN2ALDH1A1PRMT6TDP1ENPP2 | |
| Hydrochloric Acid SCHEMBL29950873 | 0.97 | SMN1; SMN2 (0.61) | SMN1; SMN2ALDH1A1PRMT6TDP1ENPP2 | |
| Hydrochloric Acid SCHEMBL2279012 | 0.97 | SMN1; SMN2 (0.61) | SMN1; SMN2ALDH1A1PRMT6TDP1ENPP2 | |
| SCHEMBL2561398 | 0.87 | NCF1 (0.55) | SMN1; SMN2ALDH1A1PRMT6TDP1ENPP2 | |
| SCHEMBL3666137 | 0.85 | MC4R (0.57) | SMN1; SMN2ALDH1A1PRMT6ENPP2KDM4E | |
| SCHEMBL875822 | 0.85 | NCF1 (0.60) | SMN1; SMN2ALDH1A1ENPP2KDM4EHRH3 | |
| SCHEMBL16633728 | 0.84 | L3MBTL3 (0.64) | SMN1; SMN2ALDH1A1TDP1ENPP2CYP2D6 | |
| Hydrochloric Acid SCHEMBL29952963 | 0.84 | NCF1 (0.59) | SMN1; SMN2ALDH1A1ENPP2KDM4EHRH3 |
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 |