Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.68 |
| ▸ | CES1 | P23141 | 4/20 | 0.68 |
| ▸ | BCHE | P06276 | 1/20 | 0.68 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | ALB | P02768 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 2/20 | 0.44 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.44 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL203112 | 1.00 | CES2 (0.68) | CES2CES1BCHEHPGDALB | |
| SCHEMBL28943808 | 0.98 | CES2 (0.65) | CES2CES1BCHEHPGDALB | |
| Hydrochloric Acid SCHEMBL27985465 | 0.98 | CES2 (0.65) | CES2CES1BCHEHPGDALB | |
| Hydrochloric Acid SCHEMBL8568449 | 0.98 | CES2 (0.65) | CES2CES1BCHEHPGDALB | |
| Formic Acid SCHEMBL15094034 | 0.92 | CES2 (0.59) | CES2CES1BCHEHPGDALB | |
| Trifluoroacetic Acid SCHEMBL3596917 | 0.89 | CES2 (0.55) | CES2CES1BCHEHPGDALB | |
| SCHEMBL27214503 | 0.88 | ALDH1A1 (0.52) | CES2CES1BCHEHPGDALDH1A1 | |
| Hydrochloric Acid SCHEMBL30628520 | 0.82 | KEAP1 (0.47) | CES2CES1BCHEHPGDALB | |
| SCHEMBL15059858 | 0.82 | NPC1 (0.55) | CES2CES1BCHEHPGDALDH1A1 | |
| SCHEMBL3184940 | 0.81 | CES2 (1.00) | CES2CES1BCHEHPGDALB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118696036-A | PARP1 inhibitors | 突触活化疗法股份有限公司 | 2024-09-24 | — | — | CN | claimed |
| EP-3898630-B1 | NOVEL IMIDAZOPYRAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2023-05-10 | — | — | EP | claimed |
| CN-118696036-A | PARP1 inhibitors | 突触活化疗法股份有限公司 | 2024-09-24 | — | — | CN | disclosed |
| CN-118044519-A | Molecules having pesticidal utility, and intermediates, compositions and methods related thereto | 科迪华农业科技有限责任公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-110072842-B | Molecules having pesticidal utility, and intermediates, compositions and methods related thereto | 科迪华农业科技有限责任公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-117425644-A | Opioid receptor modulators | 埃皮欧黛公司 | 2024-01-19 | — | — | CN | disclosed |
| CN-117241669-A | Cyclopropylamide compounds against parasites in fish | 英特威国际有限公司荷兰疫苗厂 | 2023-12-15 | — | — | CN | disclosed |
| CN-117098750-A | Molecules having pesticidal utility, and intermediates and methods related thereto | 科迪华农业科技有限责任公司 | 2023-11-21 | — | — | CN | disclosed |