Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | AGXT | P21549 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 3/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL705920 | 0.88 | TAAR1 (0.65) | TAAR1TDP1GPR84IDO1AGXT | |
| SCHEMBL30688447 | 0.88 | TAAR1 (0.65) | TAAR1TDP1GPR84IDO1AGXT | |
| SCHEMBL27800494 | 0.81 | TAAR1 (0.53) | TAAR1TDP1IDO1AGXT | |
| SCHEMBL23703162 | 0.81 | TAAR1 (0.53) | TAAR1GPR84IDO1AGXTEGFR | |
| SCHEMBL1712235 | 0.79 | TAAR1 (0.46) | TAAR1IDO1AGXTEGFRERBB2 | |
| SCHEMBL9475163 | 0.78 | TDP1 (0.73) | TAAR1TDP1 | |
| SCHEMBL27755219 | 0.78 | HTR6 (0.45) | TDP1 | |
| SCHEMBL4399626 | 0.77 | TAAR1 (0.74) | TAAR1TDP1IDO1AGXTMAOB | |
| SCHEMBL27365264 | 0.77 | ALDH1A1 (0.46) | TAAR1TDP1 | |
| SCHEMBL1118911 | 0.77 | TAAR1 (0.47) | TAAR1TDP1IDO1AGXTEGFR |
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-102083819-A | Novel phenylpyrazinones as kinase inhibitors | HOFFMANN LA ROCHE | 2011-06-01 | — | — | CN | disclosed |
| CN-102066377-A | Novel phenylimidazopyrazines | HOFFMANN LA ROCHE | 2011-05-18 | — | — | CN | disclosed |
| CN-102066370-A | Novel phenyl-imidazopyridines and pyridazines | HOFFMANN LA ROCHE | 2011-05-18 | — | — | CN | disclosed |
| CN-102066366-A | Novel substituted pyridin-2-ones and pyridazin-3-ones | HOFFMANN LA ROCHE | 2011-05-18 | — | — | CN | disclosed |