Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | LYN | P07948 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12846147 | 0.83 | — | — | |
| SCHEMBL16518823 | 0.79 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2KDM4ETP53 | |
| SCHEMBL14424070 | 0.74 | MEN1 (0.38) | SMN1; SMN2LYNMETMEN1LMNA | |
| SCHEMBL5988807 | 0.71 | GABRA1 (0.46) | KDM4EHSD17B10METALDH1A1MEN1 | |
| SCHEMBL312460 | 0.67 | — | — | |
| SCHEMBL20145942 | 0.67 | HSD17B3 (0.42) | SMN1; SMN2ALDH1A1L3MBTL1HPGD | |
| SCHEMBL12844536 | 0.67 | GPR84 (0.42) | ALDH1A1MEN1LMNAMAPTKMT2A | |
| SCHEMBL5751212 | 0.66 | CYP1A2 (0.45) | METCYP1A2CYP3A4 | |
| SCHEMBL4629685 | 0.66 | — | — | |
| SCHEMBL25085263 | 0.65 | LYN (0.31) | LYN |
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-116669727-A | Triazole-pyridinyl substituted azacyclohexylacetic acid compounds as LPA receptor antagonists | 唯久生物有限公司 | 2023-08-29 | — | — | CN | disclosed |