Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 5/20 | 0.75 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.67 |
| ▸ | CA12 | O43570 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.65 |
| ▸ | CA2 | P00918 | 1/20 | 0.65 |
| ▸ | CA4 | P22748 | 1/20 | 0.65 |
| ▸ | CA6 | P23280 | 1/20 | 0.65 |
| ▸ | CA7 | P43166 | 1/20 | 0.65 |
| ▸ | TPMT | P51580 | 1/20 | 0.65 |
| ▸ | CA9 | Q16790 | 1/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.63 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.62 |
| ▸ | THRA | P10827 | 1/20 | 0.61 |
| ▸ | THRB | P10828 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL9305512 | 1.00 | SMPD1 (0.75) | SMPD1PLA2G4BCA12CA1CA2 | |
| SCHEMBL28604170 | 1.00 | SMPD1 (0.75) | SMPD1PLA2G4BCA12CA1CA2 | |
| SCHEMBL4496535 | 0.98 | SMPD1 (0.72) | SMPD1PLA2G4BCA12CA1CA2 | |
| SCHEMBL3884522 | 0.95 | SMPD1 (0.68) | SMPD1PLA2G4BCA12CA1CA2 | |
| SCHEMBL2312195 | 0.94 | PLA2G4B (0.74) | SMPD1PLA2G4BCA12CA1CA2 | |
| SCHEMBL9307551 | 0.94 | PLA2G4B (0.74) | SMPD1PLA2G4BCA12CA1CA2 | |
| SCHEMBL7273205 | 0.94 | PLA2G4B (0.74) | SMPD1PLA2G4BCA12CA1CA2 | |
| SCHEMBL18682279 | 0.94 | PLA2G4B (0.74) | SMPD1PLA2G4BCA12CA1CA2 | |
| SCHEMBL29171434 | 0.94 | PLA2G4B (0.74) | SMPD1PLA2G4BCA12CA1CA2 | |
| SCHEMBL16077692 | 0.94 | PLA2G4B (0.74) | SMPD1PLA2G4BCA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103172543-B | A kind of carbamide compounds, preparation method and its usage | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2016-02-10 | — | — | CN | disclosed |