Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 10/20 | 0.59 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.55 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.55 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.55 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | TLR4 | O00206 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | TYMS | P04818 | 1/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.54 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL10379252 | 0.91 | DHFR (0.59) | DHFRHDAC4HDAC7HDAC9HDAC5 | |
| SCHEMBL11913611 | 0.90 | DHFR (0.71) | DHFRHDAC4HDAC7HDAC9HDAC5 | |
| SCHEMBL13524515 | 0.89 | DHFR (0.48) | DHFRHDAC4HDAC7HDAC9HDAC5 | |
| SCHEMBL13640723 | 0.81 | DHFR (0.48) | DHFRHDAC4HDAC7HDAC9HDAC5 | |
| SCHEMBL13985918 | 0.81 | DHFR (0.71) | DHFRHDAC4HDAC7HDAC9HDAC5 | |
| SCHEMBL29658170 | 0.81 | DHFR (0.71) | DHFRHDAC4HDAC7HDAC9HDAC5 | |
| SCHEMBL221621 | 0.81 | DHFR (0.71) | DHFRHDAC4HDAC7HDAC9HDAC5 | |
| Hydrochloric Acid SCHEMBL1230259 | 0.80 | DHFR (0.70) | DHFRHDAC4HDAC7HDAC9HDAC5 | |
| SCHEMBL13524535 | 0.80 | FPGS (0.86) | DHFRKDM4ETLR4MEN1ALDH1A1 | |
| SCHEMBL21098509 | 0.80 | FPGS (0.86) | DHFRKDM4ETLR4MEN1ALDH1A1 |
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-9499800-B2 | Methods of making and using chemically self assembled-nanorings | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2016-11-22 | — | — | US | disclosed |