Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | PGK1 | P00558 | 1/20 | 0.41 |
| ▸ | PGK2 | P07205 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL265041 | 0.88 | MEN1 (0.59) | MEN1KMT2AMAPTMAOBACP3 | |
| SCHEMBL30412285 | 0.88 | MEN1 (0.59) | MEN1KMT2AMAPTMAOBACP3 | |
| SCHEMBL13547858 | 0.86 | CYP1A2 (0.53) | CYP1A2CYP2C19MEN1KMT2AMAPT | |
| Formaldehyde SCHEMBL9181082 | 0.85 | MEN1 (0.56) | MEN1KMT2AMAPTMAOBACP3 | |
| SCHEMBL20057999 | 0.83 | CYP1A2 (0.43) | CYP1A2CYP2C19MEN1KMT2AMAPT | |
| SCHEMBL21101918 | 0.82 | TACR1 (0.37) | CYP1A2CYP2C19IDO1 | |
| SCHEMBL6509671 | 0.79 | ALDH1A1 (0.46) | CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL21101910 | 0.78 | POLB (0.46) | CYP2C19MAPTMAOBHDAC1HDAC8 | |
| SCHEMBL20811436 | 0.77 | HTR2A (0.47) | CYP1A2CYP2C19MAPTACP3PGK1 | |
| SCHEMBL21101912 | 0.77 | TACR1 (0.35) | CYP1A2CYP2C19IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019111225-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS | AVALIV THERAPEUTICS (US) | 2019-06-13 | — | — | WO | disclosed |