Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | FAP | Q12884 | 1/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.39 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.39 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.37 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL30474540 | 0.86 | KCNH2 (0.50) | KCNH2DPP4FAPDPP8DPP9 | |
| SCHEMBL17874925 | 0.84 | KCNH2 (0.53) | KCNH2SMYD3MAPTPKMDPP4 | |
| SCHEMBL13221611 | 0.84 | KCNH2 (0.53) | KCNH2SMYD3MAPTPKMDPP4 | |
| SCHEMBL7140606 | 0.82 | SMYD3 (0.50) | SMYD3MGAMGAASIMGAM2 | |
| SCHEMBL3667582 | 0.79 | SMYD3 (0.44) | SMYD3MGAMGAASIMGAM2 | |
| SCHEMBL3532178 | 0.79 | EPHX2 (0.45) | SMYD3MGAMGAASIMGAM2 | |
| SCHEMBL3207787 | 0.78 | EPHX2 (0.47) | SMYD3MGAMGAASIMGAM2 | |
| SCHEMBL10563477 | 0.77 | ALDH1A1 (0.43) | GAAL3MBTL1KMT2AALDH1A1EPHX2 | |
| SCHEMBL31370238 | 0.77 | KCNH2 (0.50) | KCNH2DPP4FAPDPP8DPP9 | |
| SCHEMBL7018511 | 0.77 | SMYD3 (0.43) | KCNH2SMYD3MAPTPKMGNAI3 |
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-113354635-B | Pyrrolidine integrin regulator and application thereof | 清药同创(北京)药物研发中心有限公司 | 2023-04-18 | — | — | CN | disclosed |