Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.37 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 3/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.31 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.31 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23514439 | 1.00 | CA2 (0.39) | CA2CA12CA1CA9CHKA | |
| SCHEMBL23514431 | 0.93 | CA2 (0.35) | CA2CA12CA1CA9CHKA | |
| SCHEMBL15853678 | 0.82 | DPP7 (0.41) | DPP4DPP7 | |
| SCHEMBL8975358 | 0.81 | DPP7 (0.43) | DPP4DPP7 | |
| SCHEMBL22248848 | 0.81 | CA2 (0.42) | CA2CA12CA1CA9CHKA | |
| SCHEMBL10842135 | 0.81 | CA2 (0.42) | CA2CA12CA1CA9CHKA | |
| SCHEMBL20386751 | 0.81 | CA2 (0.42) | CA2CA12CA1CA9CHKA | |
| SCHEMBL14850861 | 0.81 | CA2 (0.42) | CA2CA12CA1CA9CHKA | |
| SCHEMBL15853681 | 0.81 | DPP7 (0.43) | DPP4DPP7 | |
| SCHEMBL6465790 | 0.81 | CA2 (0.42) | CA2CA12CA1CA9CHKA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021119475-A1 | CYSTINE DIAMIDE ANALOGS FOR CYSTINURIA | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2021-06-17 | — | — | WO | disclosed |