Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | MMP9 | P14780 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 16/20 | 0.32 |
| ▸ | CA2 | P00918 | 16/20 | 0.32 |
| ▸ | CA9 | Q16790 | 15/20 | 0.32 |
| ▸ | CA12 | O43570 | 5/20 | 0.31 |
| ▸ | CA7 | P43166 | 5/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.31 |
| ▸ | CA3 | P07451 | 4/20 | 0.31 |
| ▸ | CA4 | P22748 | 4/20 | 0.31 |
| ▸ | CA6 | P23280 | 4/20 | 0.31 |
| ▸ | CA5A | P35218 | 4/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL871697 | 0.81 | CES2 (0.44) | TSHRCES2 | |
| SCHEMBL9828646 | 0.79 | CES2 (0.53) | KDM4EUSP2ALDH1A1LMNAMMP9 | |
| SCHEMBL9829705 | 0.79 | CES2 (0.53) | KDM4EUSP2ALDH1A1LMNAMMP9 | |
| SCHEMBL25372279 | 0.78 | ALDH1A1 (0.60) | KDM4EUSP2ALDH1A1LMNAMMP9 | |
| SCHEMBL1207739 | 0.78 | USP2 (0.58) | KDM4EUSP2ALDH1A1LMNAMMP9 | |
| SCHEMBL8778730 | 0.77 | CES2 (0.39) | CES2 | |
| SCHEMBL29110599 | 0.77 | ALDH1A1 (0.58) | KDM4EUSP2ALDH1A1LMNAMMP9 | |
| SCHEMBL7770974 | 0.77 | CES2 (0.37) | CES2 | |
| Busulfan SCHEMBL21693608 | 0.77 | TSHR (0.79) | KDM4EUSP2ALDH1A1LMNAMMP9 | |
| SCHEMBL2099384 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |