Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.42 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.42 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.42 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.40 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27461328 | 0.95 | SIGMAR1 (0.52) | SIGMAR1GNAI3GNAO1GNAI1KDM4E | |
| SCHEMBL22175381 | 0.93 | SIGMAR1 (0.55) | SIGMAR1GNAI3GNAO1GNAI1KDM4E | |
| SCHEMBL681346 | 0.88 | CXCR4 (0.52) | SIGMAR1KDM4ECXCR4CXCL12HRH4 | |
| SCHEMBL3321877 | 0.85 | — | — | |
| SCHEMBL7013588 | 0.85 | — | — | |
| SCHEMBL19541898 | 0.84 | CXCR4 (0.38) | SIGMAR1GNAI3GNAO1GNAI1S1PR4 | |
| SCHEMBL11520861 | 0.82 | CXCR4 (0.52) | GNAI3GNAO1GNAI1KDM4EALDH1A1 | |
| SCHEMBL4740704 | 0.82 | CXCR4 (0.52) | GNAI3GNAO1GNAI1S1PR4S1PR1 | |
| SCHEMBL1433258 | 0.81 | GNAI3 (0.62) | GNAI3GNAO1GNAI1S1PR4S1PR1 | |
| SCHEMBL24953333 | 0.80 | GNAI3 (0.67) | SIGMAR1GNAI3GNAO1GNAI1HRH4 |
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-4223754-A1 | COMPOUND AS AKT KINASE INHIBITOR | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2023-08-09 | — | — | EP | disclosed |