Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
| ▸ | MARK3 | P27448 | 1/20 | 0.35 |
| ▸ | FLT4 | P35916 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19136697 | 0.93 | ALDH1A1 (0.37) | ALDH1A1KMT2AMEN1MAPTMAPK1 | |
| SCHEMBL19136696 | 0.93 | ALDH1A1 (0.37) | ALDH1A1KMT2AMEN1MAPTMAPK1 | |
| SCHEMBL19136690 | 0.83 | ALDH1A1 (0.33) | ALDH1A1KMT2AMEN1MAPTMAPK1 | |
| SCHEMBL19136692 | 0.83 | ALDH1A1 (0.33) | ALDH1A1KMT2AMEN1MAPTMAPK1 | |
| SCHEMBL11073873 | 0.79 | SRD5A1 (0.42) | ALDH1A1KMT2AMEN1MAPTMAPK1 | |
| SCHEMBL11073868 | 0.79 | SRD5A1 (0.42) | ALDH1A1KMT2AMEN1MAPTMAPK1 | |
| SCHEMBL648276 | 0.76 | HPGD (0.42) | ALDH1A1KMT2AMEN1MAPTMAPK1 | |
| SCHEMBL19136704 | 0.75 | MAPK1 (0.55) | ALDH1A1KMT2AMEN1MAPTMAPK1 | |
| SCHEMBL9263237 | 0.73 | ALDH1A1 (0.41) | ALDH1A1KMT2AMEN1MAPTMAPK1 | |
| SCHEMBL29619668 | 0.73 | EGFR (0.40) | ALDH1A1KMT2AMEN1MAPTKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170209373-A1 | MULTIFUNCTIONAL POLYMERIC NANOPARTICLE FOR DIAGNOSIS OR TREATMENT OF CEREBRAL DISEASES AND A PREPARATION METHOD THEREOF | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2017-07-27 | — | — | US | disclosed |