Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 3/20 | 0.50 |
| ▸ | NOS3 | P29474 | 2/20 | 0.50 |
| ▸ | NOS1 | P29475 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16414313 | 0.89 | NOS2 (0.47) | NOS2NOS3NOS1ESR1GABRA1 | |
| SCHEMBL25448300 | 0.86 | NOS2 (0.47) | NOS2NOS3NOS1ESR1GABRA1 | |
| SCHEMBL16414398 | 0.82 | NOS2 (0.44) | NOS2NOS3NOS1ESR1GABRA1 | |
| SCHEMBL160399 | 0.80 | NOS2 (0.73) | NOS2NOS3NOS1ESR1IKBKB | |
| SCHEMBL20313918 | 0.78 | NOS2 (0.59) | NOS2NOS3NOS1ESR1XDH | |
| SCHEMBL1312347 | 0.78 | GABRA1 (0.46) | ESR1GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL10727080 | 0.75 | KDM4E (0.41) | NOS2NOS3NOS1ESR1GABRA1 | |
| SCHEMBL6560519 | 0.75 | GABRA1 (0.42) | NOS2NOS3NOS1ESR1GABRA1 | |
| SCHEMBL26627240 | 0.73 | ESR1 (0.36) | NOS2NOS3NOS1ESR1GABRA1 | |
| SCHEMBL24799425 | 0.73 | NOS2 (0.48) | NOS2NOS3NOS1ESR1IKBKB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016123717-A1 | ANTIOXIDANTS AND METHODS TO MAXIMIZE PERFORMANCE | UNIVERSITY OF OTTAWA (CA) | 2016-08-11 | — | — | WO | disclosed |
| EP-2280987-A2 | TRITERPENE SAPONINS, METHODS OF SYNTHESIS, AND USES THEREOF | Sloan Kettering Institute For Cancer Research (US) | 2011-02-09 | — | — | EP | disclosed |
| WO-2009126737-A2 | TRITERPENE SAPONINS, METHODS OF SYNTHESIS, AND USES THEREOF | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2009-10-15 | — | — | WO | disclosed |