Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18989846 | 0.91 | NR1H2 (0.41) | MEN1KMT2ANR1H2CYP1A2CYP2C19 | |
| SCHEMBL19014148 | 0.85 | NR1H2 (0.39) | MEN1KMT2ANR1H2CYP1A2CYP2C19 | |
| SCHEMBL18990513 | 0.82 | NR1H2 (0.38) | MEN1KMT2ANR1H2CYP1A2CYP2C19 | |
| SCHEMBL19013604 | 0.81 | NR1H2 (0.39) | KMT2ANR1H2CYP1A2CYP2C19AURKA | |
| SCHEMBL29631879 | 0.81 | NR1H2 (0.39) | KMT2ANR1H2CYP1A2CYP2C19AURKA | |
| SCHEMBL18984353 | 0.79 | MDM2 (0.39) | MEN1KMT2APOLBLMNANPSR1 | |
| SCHEMBL29631893 | 0.78 | NR1H2 (0.40) | NR1H2CYP1A2CYP2C19POLBCYP3A4 | |
| SCHEMBL29631921 | 0.78 | CHRM2 (0.41) | NR1H2L3MBTL1GABRG2GABRB3GABRA5 | |
| SCHEMBL2133036 | 0.78 | CHRM2 (0.41) | NR1H2L3MBTL1GABRG2GABRB3GABRA5 | |
| SCHEMBL19013553 | 0.78 | NR1H2 (0.40) | NR1H2CYP1A2CYP2C19POLBCYP3A4 |
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 |