Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | PLK1 | P53350 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5615903 | 0.80 | ACHE (0.43) | ACHECA12CA1CA2CA9 | |
| SCHEMBL13465919 | 0.77 | ALDH1A1 (0.53) | ALDH1A1ACHEHCAR2LMNAKDM4E | |
| SCHEMBL5615950 | 0.76 | MMP1 (0.40) | ALDH1A1EPHX1KDM4E | |
| SCHEMBL17057 | 0.74 | ALDH1A1 (0.56) | ALDH1A1ACHEHCAR2LMNAKDM4E | |
| SCHEMBL5615622 | 0.74 | ALDH1A1 (0.43) | ALDH1A1ACHECA12CA1CA2 | |
| SCHEMBL5615899 | 0.74 | CYP3A4 (0.34) | ALDH1A1ACHEEPHX1CA12CA1 | |
| SCHEMBL17471832 | 0.73 | ALDH1A1 (0.43) | ALDH1A1ACHEHCAR2EPHX1LMNA | |
| SCHEMBL12712333 | 0.73 | ALDH1A1 (0.43) | ALDH1A1ACHEHCAR2LMNAKDM4E | |
| SCHEMBL12262576 | 0.73 | ALDH1A1 (0.43) | ALDH1A1ACHEHCAR2LMNAKDM4E | |
| SCHEMBL5615659 | 0.73 | MEN1 (0.47) | ALDH1A1LMNAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007146085-A2 | CREATINE PHOSPHATE PRODRUGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2007-12-21 | — | — | WO | disclosed |