Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8785295 | 0.80 | GRIN2D (0.36) | GABRA1GABRB2ESR1ESR2 | |
| SCHEMBL11552454 | 0.76 | KIF11 (0.36) | KIF11TAAR1NOS3NOS1NOS2 | |
| SCHEMBL9630722 | 0.75 | HSD17B1 (0.42) | KIF11TAAR1NOS3NOS1NOS2 | |
| SCHEMBL269825 | 0.75 | TAAR1 (0.58) | TAAR1POLB | |
| SCHEMBL29462885 | 0.75 | TAAR1 (0.58) | TAAR1POLB | |
| SCHEMBL5847131 | 0.74 | IDO1 (0.42) | GABRA1GABRB2ESR1ESR2 | |
| SCHEMBL169507 | 0.73 | TRPA1 (0.44) | KIF11TAAR1 | |
| SCHEMBL5498171 | 0.73 | TRPA1 (0.44) | KIF11TAAR1 | |
| SCHEMBL23472825 | 0.73 | IDO1 (0.44) | KIF11TAAR1NOS3NOS1NOS2 | |
| SCHEMBL15121002 | 0.71 | KIF11 (0.36) | KIF11TAAR1NOS3NOS1NOS2 |
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-2001029010-A1 | GRAM-POSITIVE SELECTIVE ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO., INC. (US) | 2001-04-26 | — | — | WO | claimed |
| WO-2001029010-A1 | GRAM-POSITIVE SELECTIVE ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO., INC. (US) | 2001-04-26 | — | — | WO | disclosed |
| EP-0230961-B1 | PHENOL COMPOUND AND HEAT-SENSITIVE RECORDING MATERIAL | ADEKA ARGUS CHEMICAL CO., Ltd. (JP) | 1990-06-27 | — | — | EP | disclosed |