Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | COMT | P21964 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.35 |
| ▸ | FPR1 | P21462 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.33 |
| ▸ | PDE9A | O76083 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | USP7 | Q93009 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23401005 | 0.84 | RAB9A (0.39) | NPC1RAB9AMAPTMEN1KMT2A | |
| SCHEMBL23400019 | 0.81 | KMT2A (0.46) | NPC1RAB9ARPS6KA3MAPTMEN1 | |
| SCHEMBL23402230 | 0.77 | CYP11B2 (0.45) | NPC1RAB9ACOMTKDRRPS6KA3 | |
| SCHEMBL23399203 | 0.76 | HTR2B (0.41) | NPC1RAB9ACOMTKDRHTR2A | |
| SCHEMBL23401453 | 0.76 | P2RX3 (0.37) | NPC1RAB9ACOMTKDRHTR2A | |
| SCHEMBL23399995 | 0.75 | CYP1A2 (0.37) | NPC1RAB9APDE9AMAPTCYP2C19 | |
| SCHEMBL23399647 | 0.74 | RAB9A (0.55) | NPC1RAB9AMAPTCYP2C19CYP1A2 | |
| SCHEMBL23402623 | 0.72 | CYP11B2 (0.50) | NPC1RAB9ACOMTKDRRPS6KA3 | |
| SCHEMBL23403661 | 0.72 | NPC1 (0.40) | NPC1RAB9ACOMTKDRRPS6KA3 | |
| SCHEMBL23399096 | 0.71 | DRD4 (0.35) | PDE9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3828159-A1 | STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS | BASF SE (DE) | 2021-06-02 | — | — | EP | disclosed |