Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| P-Cresol SCHEMBL28148690 | 0.90 | NUDT1 (0.49) | NUDT1BACE1HSP90AA1ESR2ESR1 | |
| SCHEMBL2718435 | 0.90 | NUDT1 (0.51) | NUDT1BACE1HSP90AA1ESR2ESR1 | |
| SCHEMBL9644050 | 0.90 | NUDT1 (0.51) | NUDT1BACE1HSP90AA1ESR2ESR1 | |
| SCHEMBL2718548 | 0.90 | NUDT1 (0.51) | NUDT1BACE1HSP90AA1ESR2ESR1 | |
| SCHEMBL1068254 | 0.87 | NUDT1 (0.57) | NUDT1BACE1HSP90AA1ESR2ESR1 | |
| Metacresol SCHEMBL15511838 | 0.84 | ACHE (0.49) | NUDT1BACE1HSP90AA1ACHENPC1 | |
| SCHEMBL10455337 | 0.83 | NUDT1 (0.54) | NUDT1BACE1HSP90AA1NPC1GAA | |
| SCHEMBL2702248 | 0.83 | NUDT1 (0.54) | NUDT1BACE1HSP90AA1NPC1GAA | |
| SCHEMBL28722733 | 0.83 | NUDT1 (0.54) | NUDT1BACE1HSP90AA1NPC1GAA | |
| SCHEMBL28723110 | 0.83 | NUDT1 (0.54) | NUDT1BACE1HSP90AA1NPC1GAA |
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-20140066373-A1 | TREATING DIABETES WITH OXYTOCIN OR OXYTOCIN ANALOGS | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) | 2014-03-06 | — | — | US | disclosed |