Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | STAT1 | P42224 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6472352 | 0.82 | ALDH1A1 (0.32) | SMN1; SMN2MAPTMAPK1NPSR1ALDH1A1 | |
| SCHEMBL3786485 | 0.82 | ALDH1A1 (0.32) | SMN1; SMN2MAPTMAPK1NPSR1ALDH1A1 | |
| SCHEMBL3532850 | 0.68 | NPC1 (0.44) | TP53KIF11CES2CES1NPC1 | |
| SCHEMBL15286571 | 0.67 | ACHE (0.42) | TP53KIF11CES2CES1NPC1 | |
| SCHEMBL28276715 | 0.66 | KIF11 (0.41) | TP53KIF11CES2CES1NPC1 | |
| SCHEMBL3786557 | 0.66 | CYP2C19 (0.47) | MEN1POLBKMT2ANPC1RAB9A | |
| SCHEMBL2145301 | 0.65 | ACHE (0.48) | KIF11CES2CES1NPC1RAB9A | |
| SCHEMBL27455867 | 0.65 | ACHE (0.48) | TP53KIF11CES2CES1MEN1 | |
| SCHEMBL8408204 | 0.65 | ACHE (0.52) | KIF11CES2CES1ESR1ESR2 | |
| SCHEMBL146154 | 0.65 | ACHE (0.52) | TP53KIF11CES2CES1POLB |
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-2010024762-A1 | PREPARATION OF β-PHENYL-ISOSERINE DERIVATIVES | ORGANOCLICK AKTIEBOLAG (SE) | 2010-03-04 | — | — | WO | disclosed |