Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.50 |
| ▸ | PEPD | P12955 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27670903 | 0.85 | KIF11 (0.46) | KIF11PEPDALDH1A1NPC1MEN1 | |
| SCHEMBL1787750 | 0.82 | PEPD (0.56) | KIF11PEPDALDH1A1NPC1MEN1 | |
| SCHEMBL5523767 | 0.81 | CYP1A2 (0.58) | KIF11PEPDALDH1A1NPC1MEN1 | |
| SCHEMBL6918008 | 0.80 | POLB (0.66) | KIF11PEPDALDH1A1NPC1MEN1 | |
| SCHEMBL10870818 | 0.80 | KMT2A (0.52) | ALDH1A1NPC1MEN1KMT2APOLB | |
| SCHEMBL3030037 | 0.78 | LMNA (0.60) | ALDH1A1MEN1KMT2AGAAMAPT | |
| SCHEMBL6502347 | 0.77 | PRKCI (0.53) | KIF11PEPDALDH1A1NPC1MEN1 | |
| SCHEMBL31213414 | 0.77 | KIF11 (0.52) | KIF11PEPDALDH1A1NPC1MEN1 | |
| SCHEMBL3030030 | 0.76 | KMT2A (0.44) | ALDH1A1NPC1MEN1KMT2AGAA | |
| SCHEMBL27927996 | 0.76 | CYP1A2 (0.53) | ALDH1A1KMT2AGAAMAPTCYP1A2 |
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-117720538-A | 1, 3-disubstituted piperidine derivative and preparation method and application thereof | 沈阳药科大学 | 2024-03-19 | — | — | CN | claimed |
| CN-117720538-A | 1, 3-disubstituted piperidine derivative and preparation method and application thereof | 沈阳药科大学 | 2024-03-19 | — | — | CN | disclosed |