Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.57 |
| ▸ | DRD4 | P21917 | 1/20 | 0.57 |
| ▸ | DRD3 | P35462 | 1/20 | 0.57 |
| ▸ | NAAA | Q02083 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | RORC | P51449 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| SCHEMBL168006 | 0.78 | GAA (0.61) | NAAAGAALMNAALDH1A1HPGD | |
| SCHEMBL19404645 | 0.77 | RORC (0.59) | DRD3GAARORCLMNAALDH1A1 | |
| SCHEMBL14823336 | 0.77 | GAA (0.59) | NAAAGAALMNAALDH1A1HPGD | |
| SCHEMBL542239 | 0.76 | TDP1 (0.74) | NAAATDP1LMNAALDH1A1HPGD | |
| Benzoic Acid SCHEMBL5874805 | 0.76 | TSHR (0.58) | DRD2DRD4DRD3LMNAALDH1A1 | |
| SCHEMBL334957 | 0.76 | NAAA (0.73) | DRD2DRD4DRD3NAAAGAA | |
| Benzene SCHEMBL28248159 | 0.76 | NAAA (0.73) | DRD2DRD4DRD3NAAAGAA | |
| SCHEMBL7210713 | 0.76 | NAAA (0.67) | DRD2DRD4DRD3NAAATDP1 | |
| SCHEMBL23014388 | 0.75 | RORC (0.58) | DRD2DRD4DRD3RORCALDH1A1 | |
| SCHEMBL162323 | 0.75 | GAA (0.68) | NAAAGAALMNAALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017162536-A1 | VORTIOXETINE PRODRUGS | H. LUNDBECK A/S (DK) | 2017-09-28 | — | — | WO | disclosed |
| EP-1550657-A1 | AMINE COMPOUNDS AND USE THEREOF | Kureha Chemical Industry Co., Ltd. (JP) | 2005-07-06 | — | — | EP | disclosed |