Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 14/20 | 0.61 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9829745 | 1.00 | ACHE (0.61) | ACHEEPHX1EPHX2CES2 | |
| SCHEMBL10764218 | 0.88 | ACHE (0.50) | ACHEEPHX1EPHX2CES2 | |
| SCHEMBL9828306 | 0.88 | ACHE (0.50) | ACHEEPHX1EPHX2CES2 | |
| SCHEMBL9828659 | 0.85 | ACHE (0.49) | ACHEEPHX1CES2 | |
| SCHEMBL9828474 | 0.85 | ACHE (0.47) | ACHEEPHX1EPHX2CES2 | |
| SCHEMBL9827724 | 0.85 | ACHE (0.47) | ACHEEPHX1EPHX2CES2 | |
| Bromide SCHEMBL9830295 | 0.85 | ACHE (0.47) | ACHEEPHX1 | |
| Bromide SCHEMBL9828440 | 0.82 | ACHE (0.46) | ACHECES2 | |
| SCHEMBL9829739 | 0.82 | EPHX1 (0.56) | ACHEEPHX1 | |
| SCHEMBL9829170 | 0.82 | EPHX1 (0.56) | ACHEEPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0247201-B1 | PROPANE-1,3-DIOL DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 1991-05-15 | — | — | EP | disclosed |
| US-4945098-A | Novel propane-1,3-diol derivatives and use | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 1990-07-31 | — | — | US | disclosed |