Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.36 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.35 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3362190 | 1.00 | OPRM1 (0.52) | OPRM1TP53ALDH1A1TSHRMAPK1 | |
| SCHEMBL20663212 | 0.95 | OPRM1 (0.48) | OPRM1TP53ALDH1A1TSHRMAPK1 | |
| SCHEMBL22297918 | 0.92 | OPRM1 (0.64) | OPRM1TP53ALDH1A1TSHRMAPK1 | |
| SCHEMBL3366461 | 0.90 | OPRM1 (0.61) | OPRM1TP53SPHK1SLC1A2SLC1A1 | |
| SCHEMBL22868194 | 0.86 | OPRM1 (0.56) | OPRM1TP53SPHK1SLC1A2SLC1A1 | |
| SCHEMBL10409296 | 0.84 | OPRM1 (0.46) | OPRM1TP53ALDH1A1SPHK1SLC1A2 | |
| SCHEMBL23020860 | 0.83 | — | — | |
| SCHEMBL17918957 | 0.83 | — | — | |
| SCHEMBL24136057 | 0.83 | — | — | |
| SCHEMBL20975799 | 0.83 | — | — |
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-2019198316-A1 | METHOD FOR IMPROVING PHARMACOKINETICS OF MIDDLE MOLECULE HAVING BIOLOGICAL ACTIVITY AND METHOD FOR PRODUCING MIDDLE MOLECULE LIBRARY USING IMPROVED PHARMACOKINETICS | 国立研究開発法人産業技術総合研究所 | 2019-10-17 | — | — | WO | disclosed |