Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 9/20 | 0.51 |
| ▸ | TAS1R1 | Q7RTX1 | 9/20 | 0.51 |
| ▸ | NOS3 | P29474 | 1/20 | 0.51 |
| ▸ | NOS1 | P29475 | 1/20 | 0.51 |
| ▸ | NOS2 | P35228 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| 1,2-Dimethoxybenzene SCHEMBL27894056 | 0.87 | TAS1R3 (0.59) | TAS1R3TAS1R1NOS3NOS1NOS2 | |
| SCHEMBL5812880 | 0.85 | ALDH1A1 (0.64) | TAS1R3TAS1R1NOS3NOS1NOS2 | |
| SCHEMBL11316551 | 0.85 | ALDH1A1 (0.64) | TAS1R3TAS1R1NOS3NOS1NOS2 | |
| SCHEMBL245758 | 0.85 | ALDH1A1 (0.64) | TAS1R3TAS1R1NOS3NOS1NOS2 | |
| Catechol SCHEMBL27894047 | 0.81 | NOS3 (0.47) | TAS1R3TAS1R1NOS3NOS1NOS2 | |
| Phenylalanine SCHEMBL9218447 | 0.80 | LTA4H (0.60) | TAS1R3TAS1R1CA12CA2CA9 | |
| SCHEMBL24178319 | 0.79 | BIRC2 (0.57) | TAS1R3TAS1R1BIRC2ALDH1A1 | |
| SCHEMBL27097853 | 0.79 | BIRC2 (0.57) | TAS1R3TAS1R1BIRC2ALDH1A1 | |
| SCHEMBL12563719 | 0.78 | ALDH1A1 (0.64) | BIRC2ALDH1A1 | |
| SCHEMBL8972583 | 0.78 | ALDH1A1 (0.64) | BIRC2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102924318-B | L-leucine derivatives blocking entrance of H5N1 avian influenza virus and preparation method for same | UNIV WUHAN | 2014-06-04 | — | — | CN | claimed |
| CN-102924318-A | L-leucine derivatives blocking entrance of H5N1 avian influenza virus and preparation method for same | UNIV WUHAN | 2013-02-13 | — | — | CN | claimed |
| CN-102924318-B | L-leucine derivatives blocking entrance of H5N1 avian influenza virus and preparation method for same | UNIV WUHAN | 2014-06-04 | — | — | CN | disclosed |
| CN-102924318-A | L-leucine derivatives blocking entrance of H5N1 avian influenza virus and preparation method for same | UNIV WUHAN | 2013-02-13 | — | — | CN | disclosed |