Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.57 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.57 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.49 |
| ▸ | CDK9 | P50750 | 1/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.49 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.47 |
| ▸ | HTR4 | Q13639 | 3/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28785590 | 0.92 | TAS1R3 (0.54) | TAS1R3TAS1R1TAS1R2NPC1RAB9A | |
| SCHEMBL1987660 | 0.89 | TAS1R3 (0.64) | TAS1R3TAS1R1TAS1R2NPC1RAB9A | |
| SCHEMBL594263 | 0.88 | NPC1 (0.72) | NPC1RAB9ASMN1; SMN2GLAHTR4 | |
| SCHEMBL14688259 | 0.84 | TAS1R3 (0.62) | TAS1R3TAS1R1TAS1R2NPC1RAB9A | |
| SCHEMBL28304614 | 0.82 | NPC1 (0.50) | NPC1RAB9ACCNT1CDK9CDK5 | |
| SCHEMBL20477095 | 0.82 | SMN1; SMN2 (0.57) | TAS1R3TAS1R1TAS1R2NPC1RAB9A | |
| SCHEMBL20477092 | 0.81 | TAS1R3 (0.56) | TAS1R3TAS1R1TAS1R2NPC1RAB9A | |
| SCHEMBL28600527 | 0.80 | CHRM1 (0.57) | TAS1R3TAS1R1TAS1R2MEN1KMT2A | |
| SCHEMBL28602013 | 0.79 | CHRM1 (0.60) | HTR4 | |
| Hydrochloric Acid SCHEMBL28982241 | 0.79 | CHRM1 (0.56) | TAS1R3TAS1R1TAS1R2HTR2CMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113195496-A | Imidazopyrazine derivatives as antibacterial agents | 豪夫迈·罗氏有限公司 | 2021-07-30 | — | — | CN | claimed |
| CN-118324682-A | 2-Oxo-acetamide compound, pharmaceutical composition containing same and application thereof | 中国药科大学 | 2024-07-12 | — | — | CN | disclosed |
| EP-3898629-A1 | IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS | F. Hoffmann-La Roche AG (CH) | 2021-10-27 | — | — | EP | disclosed |
| CN-113195496-A | Imidazopyrazine derivatives as antibacterial agents | 豪夫迈·罗氏有限公司 | 2021-07-30 | — | — | CN | disclosed |
| WO-2020127075-A1 | IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS | F. HOFFMANN-LA ROCHE AG (CH) | 2020-06-25 | — | — | WO | disclosed |