Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 10/20 | 1.00 |
| ▸ | CA12 | O43570 | 8/20 | 1.00 |
| ▸ | CA1 | P00915 | 6/20 | 1.00 |
| ▸ | CA2 | P00918 | 3/20 | 0.59 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.59 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.50 |
| ▸ | PPARA | Q07869 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20511479 | 0.86 | CA9 (0.75) | CA9CA12CA1CA2SCN2A | |
| SCHEMBL1811288 | 0.84 | CA9 (0.71) | CA9CA12CA1CA2CA7 | |
| SCHEMBL8506515 | 0.83 | CA12 (0.71) | CA9CA12CA1CA2SCN2A | |
| SCHEMBL7985293 | 0.82 | CA9 (0.68) | CA9CA12CA1CA2SCN2A | |
| SCHEMBL481632 | 0.80 | CA1 (0.67) | CA9CA12CA1CA2CA7 | |
| SCHEMBL3680527 | 0.79 | DPP8 (0.65) | CA9CA12CA1CA2CA7 | |
| SCHEMBL10976600 | 0.79 | CA9 (0.65) | CA9CA12CA1CA2CA7 | |
| SCHEMBL1816383 | 0.79 | CA9 (0.65) | CA9CA12CA1CA2CA7 | |
| SCHEMBL3034623 | 0.76 | CA9 (0.65) | CA9CA12CA1CA2SCN2A | |
| SCHEMBL15289970 | 0.76 | CA9 (0.65) | CA9CA12CA1CA2SCN2A |
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 |
|---|---|---|---|---|---|---|---|
| US-10829792-B2 | Biocatalytic synthesis of strained carbocycles | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-11-10 | — | — | US | disclosed |
| US-20180305721-A1 | Biocatalytic Synthesis of Strained Carbocycles | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-10-25 | — | — | US | disclosed |
| WO-2018175628-A1 | BIOCATALYTIC SYNTHESIS OF STRAINED CARBOCYCLES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-09-27 | — | — | WO | disclosed |