Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 7/20 | 0.35 |
| ▸ | CA2 | P00918 | 7/20 | 0.35 |
| ▸ | CA9 | Q16790 | 6/20 | 0.35 |
| ▸ | FDPS | P14324 | 4/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5273914 | 0.98 | SMPD1 (0.47) | SMPD1TP53CA1CA2CA9 | |
| SCHEMBL5278349 | 0.98 | SMPD1 (0.47) | SMPD1TP53CA1CA2CA9 | |
| SCHEMBL9848723 | 0.93 | ALDH1A1 (0.40) | SMPD1TP53ALDH1A1CA1CA2 | |
| SCHEMBL3825698 | 0.83 | ALDH1A1 (0.43) | ALDH1A1CA1CA2CA12CA7 | |
| SCHEMBL6307966 | 0.82 | TP53 (0.42) | SMPD1TP53ALDH1A1OPRM1CA1 | |
| SCHEMBL2551198 | 0.81 | MAPT (0.42) | SMPD1TP53CA1CA2CA9 | |
| SCHEMBL15211949 | 0.80 | TP53 (0.41) | SMPD1TP53CA1CA2CA9 | |
| SCHEMBL3080295 | 0.80 | TP53 (0.41) | SMPD1TP53CA1CA2CA9 | |
| SCHEMBL10838919 | 0.80 | TP53 (0.45) | SMPD1TP53ALDH1A1OPRM1CA1 | |
| SCHEMBL3488909 | 0.80 | TP53 (0.41) | SMPD1TP53CA1CA2CA9 |
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-105503732-B | For absorbing SO2Double imidazole ion liquids of ether and preparation method thereof and application method | 河北科技大学 | 2018-08-10 | — | — | CN | disclosed |
| EP-1858955-A1 | PROCESSES USING ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES AS MONOMERS AND CROSSLINKERS | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2007-11-28 | — | — | EP | disclosed |
| WO-2006091901-A1 | PROCESSES USING ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES AS MONOMERS AND CROSSLINKERS | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2006-08-31 | — | — | WO | disclosed |