Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 8/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5509513 | 0.81 | NOS3 (0.47) | NAPRTHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL2229589 | 0.79 | MAPT (0.41) | ALDH1A1GAANPC1RAB9AMAPT | |
| SCHEMBL1008978 | 0.74 | HTR3E (0.60) | NAPRTHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL5509993 | 0.73 | NOS3 (0.48) | PLOD2HTR3EHTR3BHTR3AHTR3D | |
| Malonic Acid SCHEMBL28183811 | 0.71 | NAPRT (0.53) | NAPRTPLOD2ALDH1A1APPGAA | |
| SCHEMBL2694778 | 0.69 | PLOD2 (0.79) | NAPRTPLOD2ALDH1A1APPGAA | |
| SCHEMBL7497348 | 0.69 | HTR3E (0.45) | NAPRTHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7168276 | 0.69 | MEN1 (0.42) | GAANPC1RAB9AMAPTHDAC1 | |
| SCHEMBL27582165 | 0.67 | NAPRT (0.73) | NAPRTTBXAS1 | |
| SCHEMBL307606 | 0.67 | ALDH1A1 (0.71) | ALDH1A1NPC1PKMRAB9AUSP2 |
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-0966454-B1 | DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA (DE) | 2003-05-07 | — | — | EP | claimed |