Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | FAAH | O00519 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | PAM | P19021 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | DGKA | P23743 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9828285 | 0.88 | PAM (0.49) | CES2FAAHTSHRNAAAPAM | |
| SCHEMBL9828212 | 0.87 | DGKA (0.51) | CES2FAAHTSHRNAAAPAM | |
| SCHEMBL9828178 | 0.87 | DGKA (0.51) | CES2FAAHTSHRNAAAPAM | |
| Bromide SCHEMBL10768699 | 0.84 | CES2 (0.37) | CES2FAAHTSHRPAMRAD52 | |
| SCHEMBL20898183 | 0.81 | CES2 (0.59) | CES2TSHRNAAAALDH1A1MEN1 | |
| SCHEMBL20898213 | 0.81 | CES2 (0.59) | CES2TSHRNAAAALDH1A1MEN1 | |
| SCHEMBL11415281 | 0.79 | CES2 (0.56) | CES2TSHRALDH1A1MEN1THRB | |
| SCHEMBL9828659 | 0.79 | ACHE (0.49) | CES2FAAHEPHX1 | |
| SCHEMBL20896970 | 0.78 | FAAH (0.59) | CES2FAAHTSHRNAAATRPA1 | |
| SCHEMBL1032849 | 0.78 | FAAH (0.59) | CES2FAAHTSHRNAAATRPA1 |
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 4 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 |
| EP-0247201-A1 | PROPANE-1,3-DIOL DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION. | LEO PHARM PROD LTD (DK) | 1987-12-02 | — | — | EP | disclosed |
| WO-1987003281-A1 | PROPANE-1,3-DIOL DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) | 1987-06-04 | — | — | WO | disclosed |