Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.69 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | MAOB | P27338 | 2/20 | 0.55 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.55 |
| ▸ | PARP1 | P09874 | 2/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | KIF11 | P52732 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL171684 | 0.98 | CES2 (0.71) | CES2SRD5A2LMNAMAOBPARP1 | |
| SCHEMBL27621589 | 0.98 | CES2 (0.71) | CES2SRD5A2LMNAMAOBPARP1 | |
| Hydrochloric Acid SCHEMBL4372373 | 0.96 | CES2 (0.69) | CES2SRD5A2LMNAMAOBPARP1 | |
| Water SCHEMBL28050254 | 0.96 | CES2 (0.69) | CES2SRD5A2LMNAMAOBPARP1 | |
| Hydrochloric Acid SCHEMBL1267321 | 0.96 | CES2 (0.69) | CES2SRD5A2LMNAMAOBPARP1 | |
| Trifluoroacetic Acid SCHEMBL6072041 | 0.95 | CES2 (0.62) | CES2SRD5A2LMNAMAOBKCNK3 | |
| Acetic Acid SCHEMBL10340449 | 0.95 | CES2 (0.62) | CES2SRD5A2LMNAMAOBKCNK3 | |
| Formic Acid SCHEMBL29537369 | 0.91 | CES2 (0.62) | CES2SRD5A2LMNAMAOBPARP1 | |
| Butane SCHEMBL27384864 | 0.90 | ALDH1A1 (0.61) | CES2SRD5A2MAOBNPSR1PTGS1 | |
| Propene SCHEMBL27375872 | 0.88 | CES2 (0.59) | CES2SRD5A2LMNAMAOBNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109071543-A | Inhibit the pyridine derivate of RAF kinases and vascular endothelial growth factor receptor, preparation method contains its medical composition and its use | 三进制药株式会社 | 2018-12-21 | — | — | CN | disclosed |
| CN-104610140-A | 3-amine acylhydrazone derivative, preparation method and application of 3-amine acylhydrazone derivative | UNIV QINGDAO AGRICULTURAL | 2015-05-13 | — | — | CN | disclosed |