Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL2722078 | 0.92 | SIGMAR1 (0.42) | SIGMAR1CA12CA1CA2CA9 | |
| SCHEMBL29378684 | 0.92 | SIGMAR1 (0.42) | SIGMAR1CA12CA1CA2CA9 | |
| SCHEMBL23513194 | 0.91 | SIGMAR1 (0.41) | SIGMAR1CA12CA1CA2CA9 | |
| SCHEMBL12951390 | 0.88 | SIGMAR1 (0.40) | SIGMAR1CA12CA1CA2CA9 | |
| SCHEMBL18291016 | 0.88 | SIGMAR1 (0.41) | SIGMAR1CA12CA1CA2CA9 | |
| SCHEMBL24514812 | 0.87 | SIGMAR1 (0.40) | SIGMAR1CA12CA1CA2CA9 | |
| SCHEMBL24604545 | 0.86 | SIGMAR1 (0.38) | SIGMAR1CA12CA1CA2CA9 | |
| SCHEMBL15014298 | 0.85 | CYP2A6 (0.42) | SIGMAR1CA12CA1CA2CA9 | |
| SCHEMBL18204288 | 0.84 | SIGMAR1 (0.40) | SIGMAR1CYP2A6ALDH1A1L3MBTL1CYP1A2 | |
| SCHEMBL14827391 | 0.84 | SIGMAR1 (0.36) | SIGMAR1CA12CA1CA2CA9 |
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-2018012780-A1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT | 덕산네오룩스 주식회사 | 2018-01-18 | — | — | WO | disclosed |