Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11297092 | 0.87 | TDP1 (0.50) | ALDH1A1KDM4ECYP1A2HPGDMAPT | |
| SCHEMBL7784647 | 0.84 | ALDH1A1 (0.54) | ALDH1A1KDM4ELMNACYP2C19CYP1A2 | |
| SCHEMBL5739265 | 0.83 | ALDH1A1 (0.52) | ALDH1A1KDM4ELMNACYP2C19CYP1A2 | |
| SCHEMBL4309273 | 0.83 | ALDH1A1 (0.52) | ALDH1A1KDM4ELMNACYP2C19CYP1A2 | |
| SCHEMBL10756135 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KDM4ELMNACYP2C19CYP1A2 | |
| SCHEMBL29975243 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KDM4ELMNACYP2C19CYP1A2 | |
| SCHEMBL3631215 | 0.80 | ALDH1A1 (0.50) | ALDH1A1KDM4ELMNACYP2C19CYP1A2 | |
| SCHEMBL27801663 | 0.79 | TSHR (0.55) | ALDH1A1KDM4ELMNAMAPTMAPK1 | |
| SCHEMBL27780340 | 0.79 | MAPT (0.43) | ALDH1A1KDM4ELMNACYP2C19CYP1A2 | |
| SCHEMBL5739943 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KDM4ELMNACYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101679299-A | Nicotinic acid derivatives as modulators of metabotropic glutamate receptor-5 | NOVARTIS AG | 2010-03-24 | — | — | CN | disclosed |