Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 3/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL1814573 | 0.78 | ATP4A (0.39) | — | |
| SCHEMBL1812780 | 0.77 | KDM1A (0.47) | KDM1ACTSSIDO1KDM4EALDH1A1 | |
| SCHEMBL12653762 | 0.71 | BACE1 (0.46) | KDM1ACTSSIDO1KDM4EALDH1A1 | |
| SCHEMBL19865072 | 0.68 | KDM1A (0.62) | KDM1ACTSSIDO1KDM4EALDH1A1 | |
| SCHEMBL19706155 | 0.68 | KDM4E (0.42) | KDM1ACTSSIDO1KDM4EALDH1A1 | |
| SCHEMBL10200337 | 0.68 | ASIC3 (0.53) | KDM1ACTSSIDO1KDM4EALDH1A1 | |
| SCHEMBL1818614 | 0.68 | XDH (0.46) | KDM1ACTSSIDO1XDHMEN1 | |
| SCHEMBL13854087 | 0.67 | CTSS (0.58) | KDM1ACTSSIDO1KDM4EALDH1A1 | |
| SCHEMBL1818166 | 0.67 | KDM1A (0.46) | KDM1ACTSSIDO1KDM4EALDH1A1 | |
| SCHEMBL29893862 | 0.66 | IDO1 (0.56) | KDM1ACTSSIDO1KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2493888-A1 | BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS | Sirtris Pharmaceuticals, Inc. (US) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011059839-A1 | BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2011-05-19 | — | — | WO | disclosed |