Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18990513 | 0.87 | NR1H2 (0.38) | NR1H2CYP1A2CYP3A4CYP2C19LMNA | |
| SCHEMBL19014232 | 0.85 | MEN1 (0.40) | NR1H2CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL19013556 | 0.81 | NR1H2 (0.39) | NR1H2LMNAMAPTTSHRL3MBTL1 | |
| SCHEMBL29631908 | 0.81 | NR1H2 (0.39) | NR1H2LMNAMAPTTSHRL3MBTL1 | |
| SCHEMBL25307868 | 0.81 | NR1H2 (0.38) | NR1H2CYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL30462966 | 0.79 | NR1H2 (0.37) | NR1H2CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL25308959 | 0.79 | NR1H2 (0.37) | NR1H2CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL2133036 | 0.78 | CHRM2 (0.41) | NR1H2GABRG2GABRB3GABRA5L3MBTL1 | |
| SCHEMBL29631893 | 0.78 | NR1H2 (0.40) | NR1H2CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL29631921 | 0.78 | CHRM2 (0.41) | NR1H2GABRG2GABRB3GABRA5L3MBTL1 |
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-2017106352-A1 | CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF | RAZE THERAPEUTICS, INC. (US) | 2017-06-22 | — | — | WO | disclosed |