Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.61 |
| ▸ | CES1 | P23141 | 1/20 | 0.61 |
| ▸ | PARP1 | P09874 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.56 |
| ▸ | TP53 | P04637 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 8/20 | 0.55 |
| ▸ | RAB9A | P51151 | 7/20 | 0.55 |
| ▸ | MEN1 | O00255 | 5/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.50 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL27334182 | 0.83 | RAB9A (0.53) | SMN1; SMN2TP53NPC1RAB9AMEN1 | |
| Methyl 3-Methoxybenzoate SCHEMBL384913 | 0.80 | SMN1; SMN2 (0.73) | CES2CES1PARP1ESR1ESR2 | |
| SCHEMBL447346 | 0.80 | CES2 (0.71) | CES2CES1PARP1ESR1ESR2 | |
| Methyl 3-Methoxybenzoate SCHEMBL29702092 | 0.80 | SMN1; SMN2 (0.73) | CES2CES1PARP1ESR1ESR2 | |
| SCHEMBL30393680 | 0.80 | CES2 (0.71) | CES2CES1PARP1ESR1ESR2 | |
| SCHEMBL23509 | 0.80 | CES2 (0.71) | CES2CES1PARP1ESR1ESR2 | |
| SCHEMBL1356540 | 0.79 | PARP1 (0.70) | CES2CES1PARP1ESR1ESR2 | |
| SCHEMBL28817532 | 0.79 | CA1 (0.62) | CES2CES1PARP1SMN1; SMN2TP53 | |
| SCHEMBL11097558 | 0.79 | CES2 (0.59) | CES2CES1PARP1ESR1ESR2 | |
| SCHEMBL8190990 | 0.77 | CES2 (0.67) | CES2CES1PARP1ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104418892-A | Pyridoxine cyclic phosphate derivative as well as preparation method and application thereof | Jiangxi tianxin pharmaceutical co ltd | 2015-03-18 | — | — | CN | disclosed |