Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.35 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3628581 | 0.82 | PHGDH (0.38) | PHGDHCA2CA12CA1CA9 | |
| SCHEMBL9452092 | 0.82 | — | — | |
| SCHEMBL15775550 | 0.77 | ALDH1A1 (0.46) | PHGDHCA2CA12CA1CA9 | |
| SCHEMBL11355648 | 0.75 | CA1 (0.46) | PHGDHCA2CA12CA1CA9 | |
| SCHEMBL11343940 | 0.73 | MGLL (0.50) | PHGDHCA2CA12CA1CA9 | |
| SCHEMBL3431670 | 0.72 | — | — | |
| SCHEMBL6112 | 0.71 | MAPT (0.48) | CA2CA12CA1CA9CHKA | |
| SCHEMBL8520660 | 0.71 | CA2 (0.38) | PHGDHCA2CA12CA1CA9 | |
| SCHEMBL21903470 | 0.71 | MGLL (0.57) | PHGDHCA2CA12CA1CA9 | |
| Hydrochloric Acid SCHEMBL31570971 | 0.70 | PHGDH (0.42) | PHGDHCA2CA12CA1CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114072404-A | RET selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2022-02-18 | — | — | CN | disclosed |
| CN-112209925-A | RET selective inhibitor and preparation method and application thereof | 首药控股(北京)有限公司 | 2021-01-12 | — | — | CN | disclosed |
| WO-2003070229-A2 | USE OF PROTEINASE INHIBITORS IN THE TREATMENT OF AUTOIMMUNE DISEASES | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2003-08-28 | — | — | WO | disclosed |