Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.31 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4727326 | 0.86 | KMT2A (0.41) | ITKNPC1MAPTRAB9ACCR1 | |
| SCHEMBL8215082 | 0.79 | HPGDS (0.42) | — | |
| SCHEMBL8212845 | 0.79 | ALDH1A1 (0.42) | ITKHSD11B1NPC1RAB9AKMT2A | |
| SCHEMBL8219547 | 0.78 | CNR2 (0.35) | HSD11B1NPC1MAPTRAB9AKMT2A | |
| SCHEMBL8215665 | 0.76 | RXRA (0.36) | NPC1MAPTGRM1ALDH1A1 | |
| SCHEMBL8213684 | 0.73 | PDGFRB (0.46) | GRM1 | |
| SCHEMBL24737398 | 0.73 | CCR1 (0.46) | ITKNPC1MAPTRAB9ACCR1 | |
| SCHEMBL8213312 | 0.72 | TRPM5 (0.37) | HSD11B1NPC1MAPTRAB9AKMT2A | |
| SCHEMBL29879145 | 0.72 | ITK (0.46) | ITKNPC1MAPTRAB9ACCR1 | |
| SCHEMBL29302315 | 0.72 | PLAU (0.47) | ITKNPC1MAPTRAB9ACCR1 |
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-2008035049-A1 | ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2008-03-27 | — | — | WO | disclosed |