Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 5/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | OXTR | P30559 | 1/20 | 0.39 |
| ▸ | AOC2 | O75106 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2732387 | 1.00 | NISCH (0.45) | NISCHSIGMAR1MAOBTP53HTR1A | |
| SCHEMBL14395682 | 1.00 | NISCH (0.45) | NISCHSIGMAR1MAOBTP53HTR1A | |
| SCHEMBL25082548 | 1.00 | NISCH (0.45) | NISCHSIGMAR1MAOBTP53HTR1A | |
| Water SCHEMBL27491170 | 0.98 | NISCH (0.44) | NISCHSIGMAR1MAOBTP53HTR1A | |
| SCHEMBL2832695 | 0.80 | ABCG2 (0.57) | NISCHMAOBHTR1AMAOA | |
| SCHEMBL18100543 | 0.80 | ABCG2 (0.57) | NISCHMAOBHTR1AMAOA | |
| SCHEMBL18100548 | 0.80 | ABCG2 (0.57) | NISCHMAOBHTR1AMAOA | |
| Methane SCHEMBL8607471 | 0.79 | MAP3K14 (0.42) | NISCHSIGMAR1MAOBHTR1AOXTR | |
| SCHEMBL23558482 | 0.77 | LTB4R (0.40) | — | |
| SCHEMBL10754929 | 0.75 | NISCH (0.45) | NISCHSIGMAR1MAOBTP53HTR1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023161841-A1 | CHIRAL (P, N)-LIGAND FOR METAL COMPLEXES AND METHOD OF PREPARATION THEREOF | Indian Institute Of Science Education And Research Bhopal (IN) | 2023-08-31 | — | — | WO | disclosed |
| WO-2023080785-A1 | PATATIN INHIBITION | Coöperatie Koninklijke Avebe U.A. (NL) | 2023-05-11 | — | — | WO | disclosed |