Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.56 |
| ▸ | GGPS1 | O95749 | 6/20 | 0.48 |
| ▸ | FDPS | P14324 | 8/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6682242 | 1.00 | CES2 (0.56) | CES2GGPS1FDPSEPHX1CES1 | |
| Acetone SCHEMBL7095608 | 0.95 | CES2 (0.52) | CES2GGPS1FDPSEPHX1CES1 | |
| Acetone SCHEMBL3264802 | 0.95 | CES2 (0.52) | CES2GGPS1FDPSEPHX1CES1 | |
| SCHEMBL28626290 | 0.95 | CES2 (0.52) | CES2GGPS1FDPSEPHX1CES1 | |
| SCHEMBL7105885 | 0.87 | CES2 (0.48) | CES2GGPS1FDPSEPHX1CES1 | |
| SCHEMBL160169 | 0.82 | CES2 (0.48) | CES2GGPS1 | |
| SCHEMBL7087196 | 0.82 | CES2 (0.48) | CES2GGPS1 | |
| SCHEMBL459797 | 0.82 | CES2 (0.48) | CES2GGPS1 | |
| SCHEMBL2542583 | 0.82 | CES2 (0.48) | CES2GGPS1 | |
| SCHEMBL919129 | 0.82 | CES2 (0.48) | CES2GGPS1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101490018-A | Macrocyclic compounds useful as BACE inhibitors | NOVARTIS AG (CH) | 2009-07-22 | — | — | CN | disclosed |
| CN-1045597-C | Alkylenediamine derivatives | NIPPON CHEMIPHAR CO (JP) | 1999-10-13 | — | — | CN | disclosed |
| US-5852006-A | N-aminoalkyl-substituted nitrogen-containing six membered heterocyclic compounds | NIPPON CHEMIPHAR CO., LTD. (JP) | 1998-12-22 | — | — | US | disclosed |
| EP-0579169-B1 | Alkylenediamine derivatives | NIPPON CHEMIPHAR CO (JP) | 1998-09-02 | — | — | EP | disclosed |
| US-5574030-A | INHIBITING URINARY CONTRACTION, HETEROCYCLIC DIAMINES | NIPPON CHEMIPHAR CO., LTD. (JP) | 1996-11-12 | — | — | US | disclosed |
| CN-1092412-A | Alkylenediamine derivatives | NIPPON CHEMIPHAR CO (JP) | 1994-09-21 | — | — | CN | disclosed |
| EP-0579169-A1 | Alkylenediamine derivatives | NIPPON CHEMIPHAR CO., LTD. (JP) | 1994-01-19 | — | — | EP | disclosed |