Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.46 |
| ▸ | ADH5 | P11766 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8324841 | 0.90 | ADORA3 (0.46) | ADORA3TRPV1ADH5ALDH1A1MAPT | |
| SCHEMBL8327248 | 0.81 | ADORA3 (0.68) | ADORA3TRPV1ALDH1A1TP53LMNA | |
| SCHEMBL8327558 | 0.79 | ADORA3 (0.54) | ADORA3TRPV1ALDH1A1MAPTKDM4E | |
| SCHEMBL8330375 | 0.79 | ADORA3 (0.42) | ADORA3TRPV1 | |
| SCHEMBL7871519 | 0.79 | ADORA3 (0.37) | ADORA3TRPV1MAPTMEN1KMT2A | |
| SCHEMBL8330775 | 0.78 | ADORA3 (0.66) | ADORA3ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL8330776 | 0.78 | ADORA3 (0.66) | ADORA3ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL8328228 | 0.77 | ADORA3 (0.44) | ADORA3TRPV1ALDH1A1MAPTKDM4E | |
| SCHEMBL8323291 | 0.76 | ADORA3 (0.43) | ADORA3TRPV1 | |
| SCHEMBL7864235 | 0.75 | ADORA3 (0.38) | ADORA3TRPV1MAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0943615-A1 | 1,4-DIHYDROPYRIDINE DERIVATIVES | Nikken Chemicals Company, Limited (JP) | 1999-09-22 | — | — | EP | disclosed |