Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 5/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.36 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27693071 | 0.82 | TLR4 (0.50) | TLR4CA1CA2NPC1RAB9A | |
| SCHEMBL669820 | 0.80 | CA1 (0.50) | CA1CA2ERN1KMT2AALDH1A1 | |
| SCHEMBL7868898 | 0.78 | TLR4 (0.47) | TLR4S1PR3MEN1KMT2AALDH1A1 | |
| SCHEMBL17243236 | 0.78 | TLR4 (0.47) | TLR4S1PR3MEN1KMT2AALDH1A1 | |
| SCHEMBL636327 | 0.76 | NPC1 (0.61) | CA1CA2NPC1RAB9AERN1 | |
| SCHEMBL10771355 | 0.76 | KDM4E (0.40) | TLR4NPC1RAB9ATUBB1ALDH1A1 | |
| SCHEMBL31612273 | 0.76 | ALDH1A1 (0.44) | TLR4CA1CA2NPC1RAB9A | |
| SCHEMBL31612271 | 0.76 | ALDH1A1 (0.44) | TLR4CA1CA2NPC1RAB9A | |
| SCHEMBL15424106 | 0.76 | NR5A1 (0.41) | TLR4THRBTHRAALDH1A1KDM4E | |
| SCHEMBL28075459 | 0.75 | L3MBTL1 (0.46) | CA1CA2NPC1RAB9ATUBB1 |
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-102086197-A | Protoberberine derivative with insulin-sensitizing activity and application thereof | UNIV GUIYANG MEDICAL | 2011-06-08 | — | — | CN | disclosed |