Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11096658 | 0.93 | TAS1R3 (0.45) | NUDT1BACE1HSP90AA1PTGDR2TAS1R3 | |
| SCHEMBL10455337 | 0.92 | NUDT1 (0.54) | NUDT1BACE1HSP90AA1PTGDR2GAA | |
| SCHEMBL2702248 | 0.92 | NUDT1 (0.54) | NUDT1BACE1HSP90AA1PTGDR2GAA | |
| SCHEMBL28723110 | 0.92 | NUDT1 (0.54) | NUDT1BACE1HSP90AA1PTGDR2GAA | |
| SCHEMBL28722733 | 0.92 | NUDT1 (0.54) | NUDT1BACE1HSP90AA1PTGDR2GAA | |
| SCHEMBL28723166 | 0.92 | NUDT1 (0.54) | NUDT1BACE1HSP90AA1PTGDR2GAA | |
| Methane SCHEMBL3124227 | 0.90 | NUDT1 (0.53) | NUDT1BACE1HSP90AA1PTGDR2GAA | |
| SCHEMBL7718403 | 0.90 | NUDT1 (0.51) | NUDT1BACE1HSP90AA1PTGDR2GAA | |
| SCHEMBL8284606 | 0.86 | NUDT1 (0.47) | NUDT1BACE1HSP90AA1PTGDR2GAA | |
| P-Cresol SCHEMBL28148690 | 0.85 | NUDT1 (0.49) | NUDT1BACE1HSP90AA1PTGDR2GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-4006218-A | MICROBIOCIDE | JOHNSON & JOHNSON (US) | 1977-02-01 | — | — | US | disclosed |