Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR9 | P51686 | 3/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 8/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 3/20 | 0.38 |
| ▸ | OXER1 | Q8TDS5 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19013262 | 0.83 | CCR9 (0.51) | CCR9NR1H2NR1H3MEN1KMT2A | |
| SCHEMBL13515283 | 0.82 | AKR1C3 (0.40) | CCR9NR1H2NR1H3MEN1KMT2A | |
| SCHEMBL17022491 | 0.82 | NR1H2 (0.40) | CCR9NR1H2NR1H3MEN1KMT2A | |
| SCHEMBL28106960 | 0.81 | NR1H2 (0.39) | CCR9NR1H2NR1H3MEN1KMT2A | |
| SCHEMBL17220641 | 0.80 | NR1H2 (0.58) | NR1H2NR1H3 | |
| SCHEMBL18990058 | 0.79 | NR1H2 (0.40) | CCR9NR1H2NR1H3KMOOXER1 | |
| SCHEMBL1605189 | 0.79 | NR1H2 (0.38) | CCR9NR1H2NR1H3MEN1KMT2A | |
| SCHEMBL29951847 | 0.79 | NR1H2 (0.38) | CCR9NR1H2NR1H3MEN1KMT2A | |
| SCHEMBL18989952 | 0.79 | NR1H2 (0.41) | CCR9NR1H2NR1H3OXER1MEN1 | |
| SCHEMBL29631929 | 0.79 | NR1H2 (0.41) | CCR9NR1H2NR1H3OXER1MEN1 |
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 |