Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30656042 | 0.84 | ADORA2A (0.50) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL28396529 | 0.82 | KDR (0.49) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL29904582 | 0.80 | ALDH1A1 (0.65) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL3514735 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL27241739 | 0.80 | ALDH1A1 (0.65) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL23791803 | 0.80 | ALDH1A1 (0.65) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL7092833 | 0.80 | ALDH1A1 (0.65) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL27241759 | 0.80 | ALDH1A1 (0.65) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL29672194 | 0.76 | ADORA1 (0.58) | ALDH1A1TDP1NPSR1KDM4ECYP1A2 | |
| SCHEMBL10000575 | 0.76 | ALDH1A1 (0.48) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6603007-B1 | Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence | SANKIO CHEMICAL CO., LTD. (JP) | 2003-08-05 | — | — | US | disclosed |
| EP-1231207-A1 | NOVEL BIPYRIDYL DERIVATIVES | Sankio Chemical Co., Ltd. (JP) | 2002-08-14 | — | — | EP | disclosed |