Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | FAP | Q12884 | 1/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.42 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.37 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | VCP | P55072 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL19485629 | 0.90 | GNAI3 (0.46) | KCNH2EPHX2TSHRCA12CA14 | |
| SCHEMBL30474564 | 0.86 | KCNH2 (0.50) | KCNH2EPHX2DPP4FAPDPP8 | |
| SCHEMBL31370238 | 0.81 | KCNH2 (0.50) | KCNH2DPP4FAPDPP8DPP9 | |
| SCHEMBL9805865 | 0.80 | EPHX2 (0.51) | EPHX2TSHRCA12CA14VCP | |
| Hydrochloric Acid SCHEMBL7295649 | 0.78 | EPHX2 (0.50) | EPHX2TSHRCA12CA14VCP | |
| Tert-Butyl Formate SCHEMBL27790899 | 0.77 | GNAI3 (0.36) | EPHX2TSHRCA12CA14GNAI3 | |
| SCHEMBL6972472 | 0.77 | EPHX2 (0.57) | EPHX2TSHRCA12CA14VCP | |
| SCHEMBL619500 | 0.77 | EPHX2 (0.62) | EPHX2TSHRCA12CA14 | |
| SCHEMBL12120518 | 0.75 | KCNH2 (0.49) | KCNH2DPP4FAPDPP8DPP9 | |
| SCHEMBL1202915 | 0.75 | EPHX2 (0.65) | EPHX2TSHRCA12CA14EPHX1 |
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 |