Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 5/20 | 0.93 |
| ▸ | CA12 | O43570 | 5/20 | 0.91 |
| ▸ | CA4 | P22748 | 5/20 | 0.91 |
| ▸ | CA7 | P43166 | 5/20 | 0.91 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.91 |
| ▸ | TYR | P14679 | 1/20 | 0.91 |
| ▸ | CA2 | P00918 | 4/20 | 0.79 |
| ▸ | P4HB | P07237 | 5/20 | 0.66 |
| ▸ | ACHE | P22303 | 1/20 | 0.66 |
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.65 |
| ▸ | GAA | P10253 | 4/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.64 |
| ▸ | POLB | P06746 | 3/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.64 |
| ▸ | XDH | P47989 | 2/20 | 0.64 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.64 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.64 |
| ▸ | KDM1A | O60341 | 1/20 | 0.64 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL13963384 | 1.00 | AKR1B1 (0.93) | AKR1B1CA12CA4CA7CYP3A4 | |
| SCHEMBL13973823 | 1.00 | AKR1B1 (0.93) | AKR1B1CA12CA4CA7CYP3A4 | |
| SCHEMBL30637476 | 0.95 | AKR1B1 (0.93) | AKR1B1CA12CA4CA7CYP3A4 | |
| SCHEMBL12377097 | 0.95 | AKR1B1 (0.93) | AKR1B1CA12CA4CA7CYP3A4 | |
| Tiliroside SCHEMBL13963382 | 0.95 | CA12 (1.00) | AKR1B1CA12CA4CA7CYP3A4 | |
| Tiliroside SCHEMBL23598 | 0.95 | CA12 (1.00) | AKR1B1CA12CA4CA7CYP3A4 | |
| Tiliroside SCHEMBL16131015 | 0.95 | CA12 (1.00) | AKR1B1CA12CA4CA7CYP3A4 | |
| Tiliroside SCHEMBL15756208 | 0.95 | CA12 (1.00) | AKR1B1CA12CA4CA7CYP3A4 | |
| Tiliroside SCHEMBL12568488 | 0.95 | CA12 (1.00) | AKR1B1CA12CA4CA7CYP3A4 | |
| Tiliroside SCHEMBL12568460 | 0.95 | CA12 (1.00) | AKR1B1CA12CA4CA7CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8846627-B2 | Method for treatment of malaria | THE SECOND MILITARY MEDICAL UNIVERSITY (CN) | 2014-09-30 | — | — | US | disclosed |