Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 2/20 | 0.33 |
| ▸ | CASP7 | P55210 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KIF18A | Q8NI77 | 2/20 | 0.32 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | NAPEPLD | Q6IQ20 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18654695 | 0.95 | CACNA1H (0.35) | ALDH1A1MAPTKDM4ESMN1; SMN2HPGD | |
| SCHEMBL18654651 | 0.79 | DPP4 (0.36) | ALDH1A1MAPTKDM4ESMN1; SMN2HPGD | |
| SCHEMBL14897426 | 0.78 | KIF18A (0.38) | NPC1TP53SMN1; SMN2RAB9AKIF18A | |
| SCHEMBL18654416 | 0.78 | NTRK1 (0.33) | — | |
| SCHEMBL18654697 | 0.78 | NTRK1 (0.33) | — | |
| SCHEMBL14896660 | 0.73 | GBA1 (0.41) | ALDH1A1MAPTNPC1CASP1CASP7 | |
| SCHEMBL14897813 | 0.72 | KIF18A (0.38) | NPC1TP53RAB9AKIF18ACACNA1H | |
| SCHEMBL14881761 | 0.72 | CLK2 (0.46) | NPC1HSD17B10TP53SMN1; SMN2TSHR | |
| SCHEMBL18654626 | 0.72 | CSNK1D (0.37) | ALDH1A1NPC1SMN1; SMN2RAB9ACSNK1E | |
| SCHEMBL14896944 | 0.72 | SCN10A (0.43) | KIF18ACACNA1H |
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-2768509-B1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2017-03-22 | — | — | EP | disclosed |